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

14
Patents

359.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.234056 176.2
[M+Na]+ 382.215998 184.4
[M-H]- 358.219504 188.1
[M+NH4]+ 377.260603 189.5
[M+K]+ 398.189938 186.5
[M+H-H2O]+ 342.224040 173.2
[M+HCOO]- 404.224981 192.9
[M+CH3COO]- 418.240631 217.7
[M+Na-2H]- 380.201446 181.9
[M]+ 359.22623142 184.3
[M]- 359.22732858 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