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 146.7
[M+Na]+ 232.09442 152.7
[M-H]- 208.09792 149.0
[M+NH4]+ 227.13902 164.6
[M+K]+ 248.06836 151.4
[M+H-H2O]+ 192.10246 140.5
[M+HCOO]- 254.10340 169.1
[M+CH3COO]- 268.11905 186.4
[M+Na-2H]- 230.07987 150.4
[M]+ 209.10465 147.3
[M]- 209.10575 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.