CID 7131170

868552-05-0

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

CNCC1=CN(N=C1)C2=CC=CC=C2

InChI

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

InChIKey

SZXULAAYIBSASF-UHFFFAOYSA-N

Compound name

N-methyl-1-(1-phenylpyrazol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 8
Patents: 187.11095 Da
Monoisotopic Mass: 1.3
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

literature stripe

Patent stripe

patents stripe