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]+	153.113476	138.3
[M+Na]+	175.095418	148.6
[M-H]-	151.098924	141.5
[M+NH4]+	170.140023	152.0
[M+K]+	191.069358	144.6
[M+H-H2O]+	135.103460	129.7
[M+HCOO]-	197.104401	161.2
[M+CH3COO]-	211.120051	180.9
[M+Na-2H]-	173.080866	143.5
[M]+	152.10565142	139.3
[M]-	152.10674858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.