CID 13646829

104497-05-4

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

CCC1=NNN=C1C(=O)O

InChI

InChI=1S/C5H7N3O2/c1-2-3-4(5(9)10)7-8-6-3/h2H2,1H3,(H,9,10)(H,6,7,8)

InChIKey

LBPNPBMTBNCWJS-UHFFFAOYSA-N

Compound name

5-ethyl-2H-triazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 141.05383 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]+	142.06111	128.2
[M+Na]+	164.04305	138.2
[M+NH4]+	159.08765	133.9
[M+K]+	180.01699	136.7
[M-H]-	140.04655	125.6
[M+Na-2H]-	162.02850	131.7
[M]+	141.05328	128.4
[M]-	141.05438	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe