CID 37489

36613-26-0

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC1=CC=C(C=C1)NC(=O)OC(C)C
InChI
InChI=1S/C11H15NO2/c1-8(2)14-11(13)12-10-6-4-9(3)5-7-10/h4-8H,1-3H3,(H,12,13)
InChIKey
OCJDJZUWXVNOQW-UHFFFAOYSA-N
Compound name
propan-2-yl N-(4-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

193.11028 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.2
[M+Na]+ 216.09950 149.7
[M-H]- 192.10300 146.9
[M+NH4]+ 211.14410 162.6
[M+K]+ 232.07344 148.7
[M+H-H2O]+ 176.10754 137.0
[M+HCOO]- 238.10848 166.8
[M+CH3COO]- 252.12413 186.9
[M+Na-2H]- 214.08495 147.4
[M]+ 193.10973 144.2
[M]- 193.11083 144.2
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