CID 61033536

1184589-25-0

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

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

InChI

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

InChIKey

PSOAJXIUSYFYLP-UHFFFAOYSA-N

Compound name

[4-(1-methylpyrazol-4-yl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 187.11095 Da
Monoisotopic Mass: 0.7
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	140.3
[M+Na]+	210.10017	149.3
[M-H]-	186.10367	144.5
[M+NH4]+	205.14477	158.9
[M+K]+	226.07411	145.6
[M+H-H2O]+	170.10821	132.2
[M+HCOO]-	232.10915	164.4
[M+CH3COO]-	246.12480	153.7
[M+Na-2H]-	208.08562	145.5
[M]+	187.11040	139.3
[M]-	187.11150	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe