CID 1273034

92614-86-3

Structural Information

Molecular Formula

C₄H₆N₄O₂

SMILES

C1=NN=NN1CCC(=O)O

InChI

InChI=1S/C4H6N4O2/c9-4(10)1-2-8-3-5-6-7-8/h3H,1-2H2,(H,9,10)

InChIKey

WMTYEYUOSFTJBH-UHFFFAOYSA-N

Compound name

3-(tetrazol-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 96
Patents: 142.04907 Da
Monoisotopic Mass: -1.0
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]+	143.05635	127.5
[M+Na]+	165.03829	137.6
[M+NH4]+	160.08289	132.8
[M+K]+	181.01223	136.1
[M-H]-	141.04179	124.6
[M+Na-2H]-	163.02374	131.7
[M]+	142.04852	127.6
[M]-	142.04962	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe