CID 64456684

1340372-07-7

Structural Information

Molecular Formula

C₁₃H₁₇N₃

SMILES

CNCC1=CC=NN1CCC2=CC=CC=C2

InChI

InChI=1S/C13H17N3/c1-14-11-13-7-9-15-16(13)10-8-12-5-3-2-4-6-12/h2-7,9,14H,8,10-11H2,1H3

InChIKey

GGSREVACWZUBIQ-UHFFFAOYSA-N

Compound name

N-methyl-1-[2-(2-phenylethyl)pyrazol-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 215.14224 Da
Monoisotopic Mass: 1.5
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]+	216.14952	148.7
[M+Na]+	238.13146	155.8
[M-H]-	214.13496	152.6
[M+NH4]+	233.17606	166.0
[M+K]+	254.10540	152.0
[M+H-H2O]+	198.13950	139.8
[M+HCOO]-	260.14044	172.7
[M+CH3COO]-	274.15609	190.3
[M+Na-2H]-	236.11691	154.6
[M]+	215.14169	149.0
[M]-	215.14279	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe