CID 66570714

Tert-butyl n-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate

Structural Information

Molecular Formula
C17H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C17H30BNO4/c1-15(2,3)21-14(20)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18/h8,13H,9-11H2,1-7H3,(H,19,20)
InChIKey
BQDDQHLYCAQNMX-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

323.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23406 174.0
[M+Na]+ 346.21600 179.3
[M-H]- 322.21950 181.6
[M+NH4]+ 341.26060 191.6
[M+K]+ 362.18994 180.7
[M+H-H2O]+ 306.22404 170.1
[M+HCOO]- 368.22498 189.8
[M+CH3COO]- 382.24063 209.6
[M+Na-2H]- 344.20145 177.5
[M]+ 323.22623 176.0
[M]- 323.22733 176.0
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

patents stripe