CID 62755384

1341890-48-9

Structural Information

Molecular Formula

C₇H₁₂N₄

SMILES

CN1C=C(N=N1)CNC2CC2

InChI

InChI=1S/C7H12N4/c1-11-5-7(9-10-11)4-8-6-2-3-6/h5-6,8H,2-4H2,1H3

InChIKey

COBJBBVQXYDCJU-UHFFFAOYSA-N

Compound name

N-[(1-methyltriazol-4-yl)methyl]cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.1062 Da
Monoisotopic Mass: -0.4
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]+	153.113476	138.8
[M+Na]+	175.095418	149.1
[M-H]-	151.098924	142.5
[M+NH4]+	170.140023	152.7
[M+K]+	191.069358	145.4
[M+H-H2O]+	135.103460	130.1
[M+HCOO]-	197.104401	162.2
[M+CH3COO]-	211.120051	181.5
[M+Na-2H]-	173.080866	144.9
[M]+	152.10565142	140.7
[M]-	152.10674858	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.