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-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

93
Patents

206.1419 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.149176 148.6
[M+Na]+ 229.131118 154.9
[M-H]- 205.134624 150.6
[M+NH4]+ 224.175723 166.2
[M+K]+ 245.105058 152.5
[M+H-H2O]+ 189.139160 141.3
[M+HCOO]- 251.140101 171.4
[M+CH3COO]- 265.155751 190.3
[M+Na-2H]- 227.116566 153.6
[M]+ 206.14135142 149.8
[M]- 206.14244858 149.8
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