CID 12643

M-(1-ethylpropyl)phenyl methylcarbamate

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCC(CC)C1=CC(=CC=C1)OC(=O)NC
InChI
InChI=1S/C13H19NO2/c1-4-10(5-2)11-7-6-8-12(9-11)16-13(15)14-3/h6-10H,4-5H2,1-3H3,(H,14,15)
InChIKey
SMSFWBAOKCZZBF-UHFFFAOYSA-N
Compound name
(3-pentan-3-ylphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

0
References

75
Patents

221.14159 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 152.6
[M+Na]+ 244.13081 158.2
[M-H]- 220.13431 156.0
[M+NH4]+ 239.17541 170.8
[M+K]+ 260.10475 156.7
[M+H-H2O]+ 204.13885 146.0
[M+HCOO]- 266.13979 175.5
[M+CH3COO]- 280.15544 192.9
[M+Na-2H]- 242.11626 155.7
[M]+ 221.14104 154.3
[M]- 221.14214 154.3
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