CID 22714

1,2-propanediol, 3-(o-tolyloxy)-, ethylcarbamate

Structural Information

Molecular Formula
C13H19NO4
SMILES
CCNC(=O)OCC(COC1=CC=CC=C1C)O
InChI
InChI=1S/C13H19NO4/c1-3-14-13(16)18-9-11(15)8-17-12-7-5-4-6-10(12)2/h4-7,11,15H,3,8-9H2,1-2H3,(H,14,16)
InChIKey
ZCCPSSSKKUDTIP-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(2-methylphenoxy)propyl] N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13141 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13869 158.7
[M+Na]+ 276.12063 163.6
[M-H]- 252.12413 160.5
[M+NH4]+ 271.16523 174.7
[M+K]+ 292.09457 162.4
[M+H-H2O]+ 236.12867 151.7
[M+HCOO]- 298.12961 180.5
[M+CH3COO]- 312.14526 194.6
[M+Na-2H]- 274.10608 161.3
[M]+ 253.13086 161.4
[M]- 253.13196 161.4
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.