CID 327378

Bohlmann k2631

Structural Information

Molecular Formula
C15H20O2
SMILES
CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C
InChI
InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3
InChIKey
PXOYOCNNSUAQNS-UHFFFAOYSA-N
Compound name
5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

168
References

1165
Patents

232.14633 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 153.8
[M+Na]+ 255.13555 165.0
[M+NH4]+ 250.18015 164.8
[M+K]+ 271.10949 158.1
[M-H]- 231.13905 157.5
[M+Na-2H]- 253.12100 156.6
[M]+ 232.14578 156.5
[M]- 232.14688 156.5
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