CID 59166267

1004294-78-3

Structural Information

Molecular Formula
C20H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3(CC3)NC(=O)OC(C)(C)C
InChI
InChI=1S/C20H30BNO4/c1-17(2,3)24-16(23)22-20(11-12-20)14-9-8-10-15(13-14)21-25-18(4,5)19(6,7)26-21/h8-10,13H,11-12H2,1-7H3,(H,22,23)
InChIKey
LJHCQZRGLWDXOP-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

359.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.23406 176.2
[M+Na]+ 382.21600 184.4
[M-H]- 358.21950 188.1
[M+NH4]+ 377.26060 189.5
[M+K]+ 398.18994 186.5
[M+H-H2O]+ 342.22404 173.2
[M+HCOO]- 404.22498 192.9
[M+CH3COO]- 418.24063 217.7
[M+Na-2H]- 380.20145 181.9
[M]+ 359.22623 184.3
[M]- 359.22733 184.3
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

patents stripe