CID 795879

Benzyl-pyridin-2-ylmethyl-amine

Structural Information

Molecular Formula
C13H14N2
SMILES
C1=CC=C(C=C1)CNCC2=CC=CC=N2
InChI
InChI=1S/C13H14N2/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13/h1-9,14H,10-11H2
InChIKey
RRLRWANEZGPBAD-UHFFFAOYSA-N
Compound name
1-phenyl-N-(pyridin-2-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

135
Patents

198.11569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 142.9
[M+Na]+ 221.10491 149.2
[M-H]- 197.10841 147.8
[M+NH4]+ 216.14951 160.1
[M+K]+ 237.07885 145.1
[M+H-H2O]+ 181.11295 134.5
[M+HCOO]- 243.11389 167.4
[M+CH3COO]- 257.12954 155.4
[M+Na-2H]- 219.09036 152.2
[M]+ 198.11514 141.4
[M]- 198.11624 141.4
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