CID 6484255

1170427-09-4

Structural Information

Molecular Formula
C13H17N3
SMILES
CC1=CC(=NN1CC2=CC=CC(=C2)CN)C
InChI
InChI=1S/C13H17N3/c1-10-6-11(2)16(15-10)9-13-5-3-4-12(7-13)8-14/h3-7H,8-9,14H2,1-2H3
InChIKey
LQFAKFZVGNUJSP-UHFFFAOYSA-N
Compound name
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.14224 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 150.2
[M+Na]+ 238.13146 163.4
[M+NH4]+ 233.17606 158.4
[M+K]+ 254.10540 158.0
[M-H]- 214.13496 153.9
[M+Na-2H]- 236.11691 157.9
[M]+ 215.14169 153.1
[M]- 215.14279 153.1
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

No patent data available for this compound.