CID 89031

1h-tetrazol-5-acetic acid

Structural Information

Molecular Formula
C3H4N4O2
SMILES
C(C1=NNN=N1)C(=O)O
InChI
InChI=1S/C3H4N4O2/c8-3(9)1-2-4-6-7-5-2/h1H2,(H,8,9)(H,4,5,6,7)
InChIKey
JUNAPQMUUHSYOV-UHFFFAOYSA-N
Compound name
2-(2H-tetrazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1807
Patents

128.03343 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.04071 123.1
[M+Na]+ 151.02265 132.1
[M-H]- 127.02615 119.0
[M+NH4]+ 146.06725 139.8
[M+K]+ 166.99659 130.6
[M+H-H2O]+ 111.03069 115.3
[M+HCOO]- 173.03163 141.6
[M+CH3COO]- 187.04728 163.6
[M+Na-2H]- 149.00810 129.5
[M]+ 128.03288 121.3
[M]- 128.03398 121.3
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