CID 4307928

4-[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]aniline

Structural Information

Molecular Formula
C12H15N3
SMILES
CC1=CC(=NN1CC2=CC=C(C=C2)N)C
InChI
InChI=1S/C12H15N3/c1-9-7-10(2)15(14-9)8-11-3-5-12(13)6-4-11/h3-7H,8,13H2,1-2H3
InChIKey
CHUSCRKGELSGLN-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethylpyrazol-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

201.1266 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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