CID 121598651

2-(4-sulfanyl-1h-pyrazol-1-yl)acetic acid

Structural Information

Molecular Formula
C5H6N2O2S
SMILES
C1=C(C=NN1CC(=O)O)S
InChI
InChI=1S/C5H6N2O2S/c8-5(9)3-7-2-4(10)1-6-7/h1-2,10H,3H2,(H,8,9)
InChIKey
NNGKMJGOWGDHCP-UHFFFAOYSA-N
Compound name
2-(4-sulfanylpyrazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.015 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02228 131.7
[M+Na]+ 181.00422 141.9
[M+NH4]+ 176.04882 139.0
[M+K]+ 196.97816 137.7
[M-H]- 157.00772 130.9
[M+Na-2H]- 178.98967 135.2
[M]+ 158.01445 133.1
[M]- 158.01555 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.