CID 22277810

373356-52-6

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

CNCC1=CC(=NN1)C2=CC=CC=C2

InChI

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

InChIKey

DZKXCPRBGCYVCH-UHFFFAOYSA-N

Compound name

N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
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	140.0
[M+Na]+	210.10017	147.5
[M-H]-	186.10367	142.9
[M+NH4]+	205.14477	157.7
[M+K]+	226.07411	143.3
[M+H-H2O]+	170.10821	131.8
[M+HCOO]-	232.10915	163.1
[M+CH3COO]-	246.12480	152.5
[M+Na-2H]-	208.08562	146.5
[M]+	187.11040	137.7
[M]-	187.11150	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe