CID 82870060

2445785-69-1

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CN1C=CC(=N1)CCCN

InChI

InChI=1S/C7H13N3/c1-10-6-4-7(9-10)3-2-5-8/h4,6H,2-3,5,8H2,1H3

InChIKey

KVZSKSMTEUMSLT-UHFFFAOYSA-N

Compound name

3-(1-methylpyrazol-3-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 139.11095 Da
Monoisotopic Mass: -0.1
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]+	140.118226	129.5
[M+Na]+	162.100168	137.8
[M-H]-	138.103674	130.1
[M+NH4]+	157.144773	150.0
[M+K]+	178.074108	136.1
[M+H-H2O]+	122.108210	122.3
[M+HCOO]-	184.109151	153.2
[M+CH3COO]-	198.124801	176.0
[M+Na-2H]-	160.085616	135.0
[M]+	139.11040142	129.0
[M]-	139.11149858	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe