CID 65200403

(1-methyl-1h-pyrazol-3-yl)(phenyl)methanamine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

CN1C=CC(=N1)C(C2=CC=CC=C2)N

InChI

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

InChIKey

REKMCNGNTNJKPA-UHFFFAOYSA-N

Compound name

(1-methylpyrazol-3-yl)-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 187.11095 Da
Monoisotopic Mass: 0.8
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]+	188.118226	140.7
[M+Na]+	210.100168	148.4
[M-H]-	186.103674	144.6
[M+NH4]+	205.144773	158.9
[M+K]+	226.074108	145.2
[M+H-H2O]+	170.108210	132.4
[M+HCOO]-	232.109151	163.7
[M+CH3COO]-	246.124801	153.5
[M+Na-2H]-	208.085616	145.4
[M]+	187.11040142	138.7
[M]-	187.11149858	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe