CID 7131579

892502-07-7

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

C1=CN(N=C1)CC2=CC=C(C=C2)CN

InChI

InChI=1S/C11H13N3/c12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14/h1-7H,8-9,12H2

InChIKey

PTNZUQYUPCUNSX-UHFFFAOYSA-N

Compound name

[4-(pyrazol-1-ylmethyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 187.11095 Da
Monoisotopic Mass: 0.6
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	140.0
[M+Na]+	210.10017	148.0
[M-H]-	186.10367	143.7
[M+NH4]+	205.14477	158.2
[M+K]+	226.07411	144.3
[M+H-H2O]+	170.10821	131.5
[M+HCOO]-	232.10915	164.0
[M+CH3COO]-	246.12480	152.9
[M+Na-2H]-	208.08562	145.9
[M]+	187.11040	138.6
[M]-	187.11150	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe