CID 14568365

Benzyl n-(2-methylpropyl)carbamate

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC(C)CNC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C12H17NO2/c1-10(2)8-13-12(14)15-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)
InChIKey
WMPXWCPDONGZQU-UHFFFAOYSA-N
Compound name
benzyl N-(2-methylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

207.12593 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 148.5
[M+Na]+ 230.115148 153.6
[M-H]- 206.118654 151.7
[M+NH4]+ 225.159753 167.0
[M+K]+ 246.089088 152.3
[M+H-H2O]+ 190.123190 141.8
[M+HCOO]- 252.124131 171.8
[M+CH3COO]- 266.139781 188.7
[M+Na-2H]- 228.100596 152.8
[M]+ 207.12538142 149.5
[M]- 207.12647858 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe