CID 42643123

Ethyl 2-(3-amino-1h-1,2,4-triazol-1-yl)acetate

Structural Information

Molecular Formula

C₆H₁₀N₄O₂

SMILES

CCOC(=O)CN1C=NC(=N1)N

InChI

InChI=1S/C6H10N4O2/c1-2-12-5(11)3-10-4-8-6(7)9-10/h4H,2-3H2,1H3,(H2,7,9)

InChIKey

ZBTDJZDIEQXLQN-UHFFFAOYSA-N

Compound name

ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 170.08037 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]+	171.08765	135.1
[M+Na]+	193.06959	144.4
[M+NH4]+	188.11419	140.7
[M+K]+	209.04353	142.8
[M-H]-	169.07309	133.6
[M+Na-2H]-	191.05504	138.9
[M]+	170.07982	135.5
[M]-	170.08092	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe