CID 52908218

2-[(1h-imidazol-2-ylmethyl)sulfanyl]acetic acid hydrochloride

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
C1=CN=C(N1)CSCC(=O)O
InChI
InChI=1S/C6H8N2O2S/c9-6(10)4-11-3-5-7-1-2-8-5/h1-2H,3-4H2,(H,7,8)(H,9,10)
InChIKey
SFLKBFVLITZBLM-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-2-ylmethylsulfanyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.03065 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03793 135.9
[M+Na]+ 195.01987 145.0
[M+NH4]+ 190.06447 142.6
[M+K]+ 210.99381 140.6
[M-H]- 171.02337 134.4
[M+Na-2H]- 193.00532 138.8
[M]+ 172.03010 136.8
[M]- 172.03120 136.8
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.