CID 212910

Carbamic acid, methyl-, 3-hydroxy-2,2-di-p-tolylpropyl ester

Structural Information

Molecular Formula
C19H23NO3
SMILES
CC1=CC=C(C=C1)C(CO)(COC(=O)NC)C2=CC=C(C=C2)C
InChI
InChI=1S/C19H23NO3/c1-14-4-8-16(9-5-14)19(12-21,13-23-18(22)20-3)17-10-6-15(2)7-11-17/h4-11,21H,12-13H2,1-3H3,(H,20,22)
InChIKey
WNPSVNKFQVAULY-UHFFFAOYSA-N
Compound name
[3-hydroxy-2,2-bis(4-methylphenyl)propyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 175.8
[M+Na]+ 336.15702 181.1
[M-H]- 312.16052 181.0
[M+NH4]+ 331.20162 189.5
[M+K]+ 352.13096 177.5
[M+H-H2O]+ 296.16506 168.1
[M+HCOO]- 358.16600 196.3
[M+CH3COO]- 372.18165 207.0
[M+Na-2H]- 334.14247 179.4
[M]+ 313.16725 177.2
[M]- 313.16835 177.2
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.