CID 51850

(1-imino-2-phenyl)ethylthioacetic acid hydrochloride

Structural Information

Molecular Formula
C10H11NO2S
SMILES
C1=CC=C(C=C1)CC(=N)SCC(=O)O
InChI
InChI=1S/C10H11NO2S/c11-9(14-7-10(12)13)6-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)
InChIKey
BHPGNBHWUCCRJX-UHFFFAOYSA-N
Compound name
2-(2-phenylethanimidoyl)sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.05106 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05834 145.3
[M+Na]+ 232.04028 154.9
[M+NH4]+ 227.08488 152.8
[M+K]+ 248.01422 147.8
[M-H]- 208.04378 146.5
[M+Na-2H]- 230.02573 150.2
[M]+ 209.05051 147.2
[M]- 209.05161 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.