CID 82512091

2-methyl-2-(1h-1,2,3-triazol-1-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula

C₆H₉N₃O₂

SMILES

CC(C)(C(=O)O)N1C=CN=N1

InChI

InChI=1S/C6H9N3O2/c1-6(2,5(10)11)9-4-3-7-8-9/h3-4H,1-2H3,(H,10,11)

InChIKey

YQDRXZIFLKBAJQ-UHFFFAOYSA-N

Compound name

2-methyl-2-(triazol-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 155.06947 Da
Monoisotopic Mass: 0.0
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]+	156.07675	132.1
[M+Na]+	178.05869	140.6
[M-H]-	154.06219	130.8
[M+NH4]+	173.10329	150.0
[M+K]+	194.03263	139.9
[M+H-H2O]+	138.06673	125.2
[M+HCOO]-	200.06767	150.9
[M+CH3COO]-	214.08332	172.3
[M+Na-2H]-	176.04414	138.4
[M]+	155.06892	132.2
[M]-	155.07002	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe