CID 9815662

Tert-butyl n-(2-methylphenyl)carbamate

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC1=CC=CC=C1NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H17NO2/c1-9-7-5-6-8-10(9)13-11(14)15-12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChIKey
UMDAFUNCFQYMDP-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

207.12593 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 147.3
[M+Na]+ 230.115148 154.2
[M-H]- 206.118654 151.2
[M+NH4]+ 225.159753 166.4
[M+K]+ 246.089088 152.9
[M+H-H2O]+ 190.123190 141.6
[M+HCOO]- 252.124131 170.1
[M+CH3COO]- 266.139781 188.7
[M+Na-2H]- 228.100596 153.0
[M]+ 207.12538142 148.8
[M]- 207.12647858 148.8
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