CID 543207

1h-tetrazole-1-acetic acid

Structural Information

Molecular Formula
C3H4N4O2
SMILES
C1=NN=NN1CC(=O)O
InChI
InChI=1S/C3H4N4O2/c8-3(9)1-7-2-4-5-6-7/h2H,1H2,(H,8,9)
InChIKey
GRWAIJBHBCCLGS-UHFFFAOYSA-N
Compound name
2-(tetrazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

1349
Patents

128.03343 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.040706 122.1
[M+Na]+ 151.022648 131.5
[M-H]- 127.026154 119.4
[M+NH4]+ 146.067253 139.6
[M+K]+ 166.996588 131.0
[M+H-H2O]+ 111.030690 114.1
[M+HCOO]- 173.031631 142.1
[M+CH3COO]- 187.047281 166.1
[M+Na-2H]- 149.008096 129.1
[M]+ 128.03288142 122.1
[M]- 128.03397858 122.1
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