CID 862083

2-[5-(thiophen-2-yl)-2h-1,2,3,4-tetrazol-2-yl]acetic acid

Structural Information

Molecular Formula
C7H6N4O2S
SMILES
C1=CSC(=C1)C2=NN(N=N2)CC(=O)O
InChI
InChI=1S/C7H6N4O2S/c12-6(13)4-11-9-7(8-10-11)5-2-1-3-14-5/h1-3H,4H2,(H,12,13)
InChIKey
NNHMUJJDSOKCSH-UHFFFAOYSA-N
Compound name
2-(5-thiophen-2-yltetrazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

210.02115 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.028426 140.7
[M+Na]+ 233.010368 152.5
[M-H]- 209.013874 143.0
[M+NH4]+ 228.054973 157.8
[M+K]+ 248.984308 149.8
[M+H-H2O]+ 193.018410 133.2
[M+HCOO]- 255.019351 158.5
[M+CH3COO]- 269.035001 154.0
[M+Na-2H]- 230.995816 142.1
[M]+ 210.02060142 144.9
[M]- 210.02169858 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.