CID 16780832

2-[(1-methyl-1h-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid

Structural Information

Molecular Formula
C5H8N4O2S
SMILES
CC(C(=O)O)SC1=NN=NN1C
InChI
InChI=1S/C5H8N4O2S/c1-3(4(10)11)12-5-6-7-8-9(5)2/h3H,1-2H3,(H,10,11)
InChIKey
KZFCUJBAOQBABS-UHFFFAOYSA-N
Compound name
2-(1-methyltetrazol-5-yl)sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.0368 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04408 139.7
[M+Na]+ 211.02602 149.1
[M+NH4]+ 206.07062 145.1
[M+K]+ 226.99996 146.2
[M-H]- 187.02952 137.0
[M+Na-2H]- 209.01147 142.0
[M]+ 188.03625 140.3
[M]- 188.03735 140.3
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.