CID 67086162

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

Structural Information

Molecular Formula
C18H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C18H32BNO4/c1-16(2,3)22-15(21)20-12-13-8-10-14(11-9-13)19-23-17(4,5)18(6,7)24-19/h10,13H,8-9,11-12H2,1-7H3,(H,20,21)
InChIKey
INTFRCXLSWPZPD-UHFFFAOYSA-N
Compound name
tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

337.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24971 178.6
[M+Na]+ 360.23165 183.4
[M-H]- 336.23515 185.9
[M+NH4]+ 355.27625 195.6
[M+K]+ 376.20559 184.5
[M+H-H2O]+ 320.23969 174.5
[M+HCOO]- 382.24063 194.0
[M+CH3COO]- 396.25628 212.5
[M+Na-2H]- 358.21710 181.5
[M]+ 337.24188 180.8
[M]- 337.24298 180.8
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