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]+ 228.06889 148.3
[M+Na]+ 250.05083 155.2
[M-H]- 226.05433 152.0
[M+NH4]+ 245.09543 166.7
[M+K]+ 266.02477 153.3
[M+H-H2O]+ 210.05887 141.6
[M+HCOO]- 272.05981 168.0
[M+CH3COO]- 286.07546 188.8
[M+Na-2H]- 248.03628 151.3
[M]+ 227.06106 153.0
[M]- 227.06216 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.