CID 24695936

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

Structural Information

Molecular Formula

C₅H₁₀N₄

SMILES

CCN1C=NN=C1CN

InChI

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

InChIKey

OTANTFOQCVGSJL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 126.090546 Da
Monoisotopic Mass: -1.4
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	124.6
[M+Na]+	149.07976	135.4
[M+NH4]+	144.12437	131.9
[M+K]+	165.05370	132.2
[M-H]-	125.08327	124.7
[M+Na-2H]-	147.06521	130.1
[M]+	126.09000	125.8
[M]-	126.09109	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe