CID 9794203

Lanicemine

Structural Information

Molecular Formula
C13H14N2
SMILES
C1=CC=C(C=C1)[C@H](CC2=CC=CC=N2)N
InChI
InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2/t13-/m0/s1
InChIKey
FWUQWDCOOWEXRY-ZDUSSCGKSA-N
Compound name
(1S)-1-phenyl-2-pyridin-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

45
References

967
Patents

198.11569 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 145.1
[M+Na]+ 221.10491 159.2
[M+NH4]+ 216.14951 154.3
[M+K]+ 237.07885 151.3
[M-H]- 197.10841 150.3
[M+Na-2H]- 219.09036 155.6
[M]+ 198.11514 148.6
[M]- 198.11624 148.6
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