CID 826765

Tert-butyl n-[(2-methylphenyl)methyl]carbamate

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC1=CC=CC=C1CNC(=O)OC(C)(C)C
InChI
InChI=1S/C13H19NO2/c1-10-7-5-6-8-11(10)9-14-12(15)16-13(2,3)4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKey
JQILPGQUKRMVRC-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-methylphenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

221.14159 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 152.0
[M+Na]+ 244.130808 158.4
[M-H]- 220.134314 155.7
[M+NH4]+ 239.175413 170.6
[M+K]+ 260.104748 156.9
[M+H-H2O]+ 204.138850 146.1
[M+HCOO]- 266.139791 174.4
[M+CH3COO]- 280.155441 191.7
[M+Na-2H]- 242.116256 157.2
[M]+ 221.14104142 153.9
[M]- 221.14213858 153.9
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