CID 15511175

Tetrahydrorhombifoline

Structural Information

Molecular Formula
C15H24N2O
SMILES
C=CCCN1C[C@H]2C[C@@H](C1)[C@H]3CCCC(=O)N3C2
InChI
InChI=1S/C15H24N2O/c1-2-3-7-16-9-12-8-13(11-16)14-5-4-6-15(18)17(14)10-12/h2,12-14H,1,3-11H2/t12-,13+,14-/m1/s1
InChIKey
OKTIETCHYDTVGN-HZSPNIEDSA-N
Compound name
(1S,2R,9R)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

248.18886 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.196136 161.1
[M+Na]+ 271.178078 164.9
[M-H]- 247.181584 159.8
[M+NH4]+ 266.222683 177.9
[M+K]+ 287.152018 160.3
[M+H-H2O]+ 231.186120 152.6
[M+HCOO]- 293.187061 170.5
[M+CH3COO]- 307.202711 197.6
[M+Na-2H]- 269.163526 163.7
[M]+ 248.18831142 154.3
[M]- 248.18940858 154.3
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

patents stripe