CID 15773116

(6-phenylpyridin-2-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C12H12N2
SMILES
C1=CC=C(C=C1)C2=CC=CC(=N2)CN
InChI
InChI=1S/C12H12N2/c13-9-11-7-4-8-12(14-11)10-5-2-1-3-6-10/h1-8H,9,13H2
InChIKey
KNIJLYUDLSFLDZ-UHFFFAOYSA-N
Compound name
(6-phenylpyridin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

45
Patents

184.10005 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.10733 139.2
[M+Na]+ 207.08927 146.9
[M-H]- 183.09277 144.2
[M+NH4]+ 202.13387 157.0
[M+K]+ 223.06321 142.7
[M+H-H2O]+ 167.09731 131.3
[M+HCOO]- 229.09825 163.4
[M+CH3COO]- 243.11390 152.2
[M+Na-2H]- 205.07472 147.2
[M]+ 184.09950 136.8
[M]- 184.10060 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe