CID 3080564

Angustifoline

Structural Information

Molecular Formula
C14H22N2O
SMILES
C=CC[C@H]1[C@@H]2C[C@H](CN1)[C@H]3CCCC(=O)N3C2
InChI
InChI=1S/C14H22N2O/c1-2-4-12-11-7-10(8-15-12)13-5-3-6-14(17)16(13)9-11/h2,10-13,15H,1,3-9H2/t10-,11-,12+,13-/m1/s1
InChIKey
VTIPIBIDDZPDAV-FVCCEPFGSA-N
Compound name
(1R,2R,9R,10S)-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

54
Patents

234.17322 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 158.2
[M+Na]+ 257.16244 168.2
[M+NH4]+ 252.20704 166.7
[M+K]+ 273.13638 160.7
[M-H]- 233.16594 158.5
[M+Na-2H]- 255.14789 158.1
[M]+ 234.17267 159.3
[M]- 234.17377 159.3
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.