CID 480091

7-oxa-2,2,4,4-tetraprop-2-enylbicyclo[3.3.0]octan-3-one

Structural Information

Molecular Formula
C19H26O2
SMILES
C=CCC1([C@@H]2COC[C@H]2C(C1=O)(CC=C)CC=C)CC=C
InChI
InChI=1S/C19H26O2/c1-5-9-18(10-6-2)15-13-21-14-16(15)19(11-7-3,12-8-4)17(18)20/h5-8,15-16H,1-4,9-14H2/t15-,16-/m1/s1
InChIKey
VZVOCOFOIHBEPL-HZPDHXFCSA-N
Compound name
(3aR,6aR)-4,4,6,6-tetrakis(prop-2-enyl)-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.19327 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.20055 168.4
[M+Na]+ 309.18249 175.9
[M-H]- 285.18599 172.6
[M+NH4]+ 304.22709 191.6
[M+K]+ 325.15643 170.5
[M+H-H2O]+ 269.19053 165.3
[M+HCOO]- 331.19147 187.0
[M+CH3COO]- 345.20712 202.8
[M+Na-2H]- 307.16794 168.7
[M]+ 286.19272 169.5
[M]- 286.19382 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.