CID 5077792

(5-methyl-1h-tetrazol-1-yl)acetic acid

Structural Information

Molecular Formula

C₄H₆N₄O₂

SMILES

CC1=NN=NN1CC(=O)O

InChI

InChI=1S/C4H6N4O2/c1-3-5-6-7-8(3)2-4(9)10/h2H2,1H3,(H,9,10)

InChIKey

QMGRTPHVXPNNBK-UHFFFAOYSA-N

Compound name

2-(5-methyltetrazol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 142.04907 Da
Monoisotopic Mass: -0.3
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	127.6
[M+Na]+	165.03829	138.0
[M+NH4]+	160.08289	132.9
[M+K]+	181.01223	136.7
[M-H]-	141.04179	124.7
[M+Na-2H]-	163.02374	131.5
[M]+	142.04852	127.7
[M]-	142.04962	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe