CID 51908

P-methoxycarbanilic acid 2-mercaptoethyl ester

Structural Information

Molecular Formula
C10H13NO3S
SMILES
COC1=CC=C(C=C1)NC(=O)OCCS
InChI
InChI=1S/C10H13NO3S/c1-13-9-4-2-8(3-5-9)11-10(12)14-6-7-15/h2-5,15H,6-7H2,1H3,(H,11,12)
InChIKey
QSHSRRYNHQWTRZ-UHFFFAOYSA-N
Compound name
2-sulfanylethyl N-(4-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.06161 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.068886 148.3
[M+Na]+ 250.050828 155.2
[M-H]- 226.054334 152.0
[M+NH4]+ 245.095433 166.7
[M+K]+ 266.024768 153.3
[M+H-H2O]+ 210.058870 141.6
[M+HCOO]- 272.059811 168.0
[M+CH3COO]- 286.075461 188.8
[M+Na-2H]- 248.036276 151.3
[M]+ 227.06106142 153.0
[M]- 227.06215858 153.0
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.