CID 19616721

[2-(3,5-dimethyl-1h-pyrazol-1-yl)phenyl]methanamine

Structural Information

Molecular Formula
C12H15N3
SMILES
CC1=CC(=NN1C2=CC=CC=C2CN)C
InChI
InChI=1S/C12H15N3/c1-9-7-10(2)15(14-9)12-6-4-3-5-11(12)8-13/h3-7H,8,13H2,1-2H3
InChIKey
VYQNOSSOUOYTFX-UHFFFAOYSA-N
Compound name
[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

201.1266 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 145.1
[M+Na]+ 224.11582 154.7
[M-H]- 200.11932 149.6
[M+NH4]+ 219.16042 163.5
[M+K]+ 240.08976 150.6
[M+H-H2O]+ 184.12386 137.1
[M+HCOO]- 246.12480 168.9
[M+CH3COO]- 260.14045 188.8
[M+Na-2H]- 222.10127 149.0
[M]+ 201.12605 144.9
[M]- 201.12715 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe