CID 171125

N'-methylammodendrine

Structural Information

Molecular Formula
C13H22N2O
SMILES
CC(=O)N1CCCC(=C1)[C@H]2CCCCN2C
InChI
InChI=1S/C13H22N2O/c1-11(16)15-9-5-6-12(10-15)13-7-3-4-8-14(13)2/h10,13H,3-9H2,1-2H3/t13-/m1/s1
InChIKey
SWGUPFWFYUMIGH-CYBMUJFWSA-N
Compound name
1-[5-[(2R)-1-methylpiperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.17322 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18050 155.0
[M+Na]+ 245.16244 158.8
[M-H]- 221.16594 157.5
[M+NH4]+ 240.20704 170.2
[M+K]+ 261.13638 156.3
[M+H-H2O]+ 205.17048 146.2
[M+HCOO]- 267.17142 169.1
[M+CH3COO]- 281.18707 189.8
[M+Na-2H]- 243.14789 155.8
[M]+ 222.17267 148.3
[M]- 222.17377 148.3
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

No patent data available for this compound.