CID 89030

21743-64-6

Structural Information

Molecular Formula

C₃H₄N₄O₂

SMILES

C1=NN(N=N1)CC(=O)O

InChI

InChI=1S/C3H4N4O2/c8-3(9)1-7-5-2-4-6-7/h2H,1H2,(H,8,9)

InChIKey

ZYHXBGMQUWRUBE-UHFFFAOYSA-N

Compound name

2-(tetrazol-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 142
Patents: 128.03343 Da
Monoisotopic Mass: -0.2
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]+	129.040706	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

Literature stripe

literature stripe

Patent stripe

patents stripe