CID 29489

Carbamic acid, (hydroxymethyl)-, m-cumenyl ester

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC(C)C1=CC(=CC=C1)OC(=O)NCO
InChI
InChI=1S/C11H15NO3/c1-8(2)9-4-3-5-10(6-9)15-11(14)12-7-13/h3-6,8,13H,7H2,1-2H3,(H,12,14)
InChIKey
CTZCNCVUVDWJSO-UHFFFAOYSA-N
Compound name
(3-propan-2-ylphenyl) N-(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 146.7
[M+Na]+ 232.094418 152.7
[M-H]- 208.097924 149.0
[M+NH4]+ 227.139023 164.6
[M+K]+ 248.068358 151.4
[M+H-H2O]+ 192.102460 140.5
[M+HCOO]- 254.103401 169.1
[M+CH3COO]- 268.119051 186.4
[M+Na-2H]- 230.079866 150.4
[M]+ 209.10465142 147.3
[M]- 209.10574858 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.