CID 164886191

Tert-butyl n-[(1r)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1h-inden-1-yl]carbamate

Structural Information

Molecular Formula
C20H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)[C@@H](CC3)NC(=O)OC(C)(C)C
InChI
InChI=1S/C20H30BNO4/c1-18(2,3)24-17(23)22-16-11-8-13-12-14(9-10-15(13)16)21-25-19(4,5)20(6,7)26-21/h9-10,12,16H,8,11H2,1-7H3,(H,22,23)/t16-/m1/s1
InChIKey
OEDURMYINMZSQS-MRXNPFEDSA-N
Compound name
tert-butyl N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.23406 183.7
[M+Na]+ 382.21600 190.7
[M-H]- 358.21950 192.7
[M+NH4]+ 377.26060 202.8
[M+K]+ 398.18994 190.5
[M+H-H2O]+ 342.22404 180.5
[M+HCOO]- 404.22498 200.3
[M+CH3COO]- 418.24063 217.0
[M+Na-2H]- 380.20145 186.3
[M]+ 359.22623 188.0
[M]- 359.22733 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.