CID 7131118

956567-89-8

Structural Information

Molecular Formula
C13H17N3
SMILES
CC1=C(C(=NN1CC2=CC=CC=C2)C)CN
InChI
InChI=1S/C13H17N3/c1-10-13(8-14)11(2)16(15-10)9-12-6-4-3-5-7-12/h3-7H,8-9,14H2,1-2H3
InChIKey
LVFJOKRQRQBQAZ-UHFFFAOYSA-N
Compound name
(1-benzyl-3,5-dimethylpyrazol-4-yl)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 149.7
[M+Na]+ 238.13146 158.8
[M-H]- 214.13496 154.0
[M+NH4]+ 233.17606 167.5
[M+K]+ 254.10540 154.5
[M+H-H2O]+ 198.13950 141.5
[M+HCOO]- 260.14044 173.1
[M+CH3COO]- 274.15609 191.9
[M+Na-2H]- 236.11691 153.0
[M]+ 215.14169 149.8
[M]- 215.14279 149.8
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.