CID 3035658

134717-73-0

Structural Information

Molecular Formula
C7H6N4O2S
SMILES
C1=CSC=C1C2=NN=NN2CC(=O)O
InChI
InChI=1S/C7H6N4O2S/c12-6(13)3-11-7(8-9-10-11)5-1-2-14-4-5/h1-2,4H,3H2,(H,12,13)
InChIKey
DDVAZOPRCKAYOV-UHFFFAOYSA-N
Compound name
2-(5-thiophen-3-yltetrazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

38
Patents

210.02115 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02843 140.7
[M+Na]+ 233.01037 152.5
[M-H]- 209.01387 143.0
[M+NH4]+ 228.05497 157.8
[M+K]+ 248.98431 149.8
[M+H-H2O]+ 193.01841 133.2
[M+HCOO]- 255.01935 158.5
[M+CH3COO]- 269.03500 154.0
[M+Na-2H]- 230.99582 142.1
[M]+ 210.02060 144.9
[M]- 210.02170 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

patents stripe