CID 82508492

1-[6-(3,5-dimethylphenyl)pyridin-2-yl]methanamine dihydrochloride

Structural Information

Molecular Formula
C14H16N2
SMILES
CC1=CC(=CC(=C1)C2=CC=CC(=N2)CN)C
InChI
InChI=1S/C14H16N2/c1-10-6-11(2)8-12(7-10)14-5-3-4-13(9-15)16-14/h3-8H,9,15H2,1-2H3
InChIKey
KQLIVTWLMJEKQH-UHFFFAOYSA-N
Compound name
[6-(3,5-dimethylphenyl)pyridin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.13135 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 148.7
[M+Na]+ 235.12057 157.5
[M-H]- 211.12407 154.2
[M+NH4]+ 230.16517 166.1
[M+K]+ 251.09451 152.9
[M+H-H2O]+ 195.12861 140.9
[M+HCOO]- 257.12955 172.2
[M+CH3COO]- 271.14520 192.2
[M+Na-2H]- 233.10602 154.1
[M]+ 212.13080 147.8
[M]- 212.13190 147.8
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.