CID 818484

879896-52-3

Structural Information

Molecular Formula

C₁₂H₁₅N₃

SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN

InChI

InChI=1S/C12H15N3/c1-9-12(8-13)10(2)15(14-9)11-6-4-3-5-7-11/h3-7H,8,13H2,1-2H3

InChIKey

OBCGZRPPRQGJNF-UHFFFAOYSA-N

Compound name

(3,5-dimethyl-1-phenylpyrazol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 201.1266 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]+	202.13388	145.6
[M+Na]+	224.11582	159.1
[M+NH4]+	219.16042	154.0
[M+K]+	240.08976	153.9
[M-H]-	200.11932	149.4
[M+Na-2H]-	222.10127	153.6
[M]+	201.12605	148.6
[M]-	201.12715	148.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.