CID 68179807

(2-ethyl-2h-1,2,3-triazol-4-yl)methanamine

Structural Information

Molecular Formula

C₅H₁₀N₄

SMILES

CCN1N=CC(=N1)CN

InChI

InChI=1S/C5H10N4/c1-2-9-7-4-5(3-6)8-9/h4H,2-3,6H2,1H3

InChIKey

LIUXPNMASXXMLO-UHFFFAOYSA-N

Compound name

(2-ethyltriazol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 126.090546 Da
Monoisotopic Mass: -0.6
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]+	127.09782	124.9
[M+Na]+	149.07976	134.1
[M-H]-	125.08327	124.4
[M+NH4]+	144.12437	144.6
[M+K]+	165.05370	132.8
[M+H-H2O]+	109.08781	117.2
[M+HCOO]-	171.08875	148.0
[M+CH3COO]-	185.10440	172.9
[M+Na-2H]-	147.06521	131.4
[M]+	126.09000	124.2
[M]-	126.09109	124.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.