CID 12306807

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+/m0/s1
InChIKey
VTIPIBIDDZPDAV-ZDEQEGDKSA-N
Compound name
(1S,2R,9S,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

66
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 157.0
[M+Na]+ 257.16244 160.9
[M-H]- 233.16594 154.6
[M+NH4]+ 252.20704 173.8
[M+K]+ 273.13638 155.7
[M+H-H2O]+ 217.17048 149.2
[M+HCOO]- 279.17142 165.3
[M+CH3COO]- 293.18707 165.3
[M+Na-2H]- 255.14789 159.9
[M]+ 234.17267 148.2
[M]- 234.17377 148.2
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