CID 62060248

1267130-56-2

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CC(C)CN1C=C(N=N1)C(=O)O

InChI

InChI=1S/C7H11N3O2/c1-5(2)3-10-4-6(7(11)12)8-9-10/h4-5H,3H2,1-2H3,(H,11,12)

InChIKey

XBPGVWVFWCBSIY-UHFFFAOYSA-N

Compound name

1-(2-methylpropyl)triazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 169.08513 Da
Monoisotopic Mass: 0.8
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]+	170.09241	136.3
[M+Na]+	192.07435	146.1
[M+NH4]+	187.11895	142.0
[M+K]+	208.04829	144.7
[M-H]-	168.07785	134.1
[M+Na-2H]-	190.05980	139.7
[M]+	169.08458	136.6
[M]-	169.08568	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe