CID 42281904

1015845-80-3

Structural Information

Molecular Formula

C₉H₁₇N₃

SMILES

CC(C)CNCC1=CN(N=C1)C

InChI

InChI=1S/C9H17N3/c1-8(2)4-10-5-9-6-11-12(3)7-9/h6-8,10H,4-5H2,1-3H3

InChIKey

SJSPCTOAIURCFH-UHFFFAOYSA-N

Compound name

2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 167.14224 Da
Monoisotopic Mass: 0.9
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]+	168.14952	138.7
[M+Na]+	190.13146	148.9
[M+NH4]+	185.17606	146.3
[M+K]+	206.10540	145.0
[M-H]-	166.13496	139.5
[M+Na-2H]-	188.11691	143.8
[M]+	167.14169	140.1
[M]-	167.14279	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe