CID 62053951

2098058-25-2

Structural Information

Molecular Formula

C₇H₁₂N₄

SMILES

C1CC1CN2C=C(N=N2)CN

InChI

InChI=1S/C7H12N4/c8-3-7-5-11(10-9-7)4-6-1-2-6/h5-6H,1-4,8H2

InChIKey

KELKBKXPSNKQRJ-UHFFFAOYSA-N

Compound name

[1-(cyclopropylmethyl)triazol-4-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.1062 Da
Monoisotopic Mass: -0.7
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]+	153.11348	133.7
[M+Na]+	175.09542	145.8
[M+NH4]+	170.14002	141.8
[M+K]+	191.06936	143.5
[M-H]-	151.09892	141.9
[M+Na-2H]-	173.08087	142.3
[M]+	152.10565	138.6
[M]-	152.10675	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.