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]+ 210.11248 146.9
[M+Na]+ 232.09442 157.0
[M+NH4]+ 227.13902 153.7
[M+K]+ 248.06836 152.4
[M-H]- 208.09792 147.8
[M+Na-2H]- 230.07987 151.7
[M]+ 209.10465 148.3
[M]- 209.10575 148.3
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.