CID 29488

Carbamic acid, methyl-, 4-hydroxy-m-cumenyl ester

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC(C)C1=C(C=CC(=C1)OC(=O)NC)O
InChI
InChI=1S/C11H15NO3/c1-7(2)9-6-8(4-5-10(9)13)15-11(14)12-3/h4-7,13H,1-3H3,(H,12,14)
InChIKey
IJGTUOFYNRWQMM-UHFFFAOYSA-N
Compound name
(4-hydroxy-3-propan-2-ylphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 146.1
[M+Na]+ 232.09442 153.1
[M-H]- 208.09792 148.9
[M+NH4]+ 227.13902 164.4
[M+K]+ 248.06836 151.8
[M+H-H2O]+ 192.10246 140.2
[M+HCOO]- 254.10340 168.5
[M+CH3COO]- 268.11905 187.7
[M+Na-2H]- 230.07987 149.2
[M]+ 209.10465 147.1
[M]- 209.10575 147.1
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.