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]+ 314.175076 175.8
[M+Na]+ 336.157018 181.1
[M-H]- 312.160524 181.0
[M+NH4]+ 331.201623 189.5
[M+K]+ 352.130958 177.5
[M+H-H2O]+ 296.165060 168.1
[M+HCOO]- 358.166001 196.3
[M+CH3COO]- 372.181651 207.0
[M+Na-2H]- 334.142466 179.4
[M]+ 313.16725142 177.2
[M]- 313.16834858 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.