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

2
Annotation Hits: 11
References: 1073
Patents: 128.03343 Da
Monoisotopic Mass: -0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	129.04071	123.1
[M+Na]+	151.02265	133.4
[M+NH4]+	146.06725	128.6
[M+K]+	166.99659	132.2
[M-H]-	127.02615	120.2
[M+Na-2H]-	149.00810	127.6
[M]+	128.03288	123.2
[M]-	128.03398	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe