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 148.9
[M+Na]+ 250.05083 159.4
[M+NH4]+ 245.09543 156.6
[M+K]+ 266.02477 152.0
[M-H]- 226.05433 150.7
[M+Na-2H]- 248.03628 154.2
[M]+ 227.06106 151.2
[M]- 227.06216 151.2
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.