CID 4419849

1158302-05-6

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

CNCC1=CC=C(C=C1)N2C=CC=N2

InChI

InChI=1S/C11H13N3/c1-12-9-10-3-5-11(6-4-10)14-8-2-7-13-14/h2-8,12H,9H2,1H3

InChIKey

SNGYKMODFWRKIL-UHFFFAOYSA-N

Compound name

N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 187.11095 Da
Monoisotopic Mass: 1.6
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]+	188.11823	141.1
[M+Na]+	210.10017	154.3
[M+NH4]+	205.14477	149.8
[M+K]+	226.07411	148.7
[M-H]-	186.10367	144.9
[M+Na-2H]-	208.08562	150.3
[M]+	187.11040	144.0
[M]-	187.11150	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe