CID 51889972

4-[(4-methyl-1h-pyrazol-1-yl)methyl]aniline

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

CC1=CN(N=C1)CC2=CC=C(C=C2)N

InChI

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

InChIKey

QWPPDCVKEZUYQW-UHFFFAOYSA-N

Compound name

4-[(4-methylpyrazol-1-yl)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 187.11095 Da
Monoisotopic Mass: 1.5
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	149.6
[M+K]+	226.07411	149.2
[M-H]-	186.10367	144.8
[M+Na-2H]-	208.08562	149.6
[M]+	187.11040	143.9
[M]-	187.11150	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe