CID 10262406

2984m6l5qv

Structural Information

Molecular Formula
C12H18N2O
SMILES
C[C@@H](C/C=C/C1=CC(=CN=C1)OC)NC
InChI
InChI=1S/C12H18N2O/c1-10(13-2)5-4-6-11-7-12(15-3)9-14-8-11/h4,6-10,13H,5H2,1-3H3/b6-4+/t10-/m0/s1
InChIKey
HXZJTUDXVFHWOB-RWCYGVJQSA-N
Compound name
(E,2S)-5-(5-methoxypyridin-3-yl)-N-methylpent-4-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

86
Patents

206.1419 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 148.7
[M+Na]+ 229.13112 160.2
[M+NH4]+ 224.17572 156.2
[M+K]+ 245.10506 153.5
[M-H]- 205.13462 150.5
[M+Na-2H]- 227.11657 154.8
[M]+ 206.14135 150.7
[M]- 206.14245 150.7
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