CID 480092

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

Structural Information

Molecular Formula
C19H28O2
SMILES
C=CCC1([C@@H]2COC[C@H]2C(C1O)(CC=C)CC=C)CC=C
InChI
InChI=1S/C19H28O2/c1-5-9-18(10-6-2)15-13-21-14-16(15)19(11-7-3,12-8-4)17(18)20/h5-8,15-17,20H,1-4,9-14H2/t15-,16-/m1/s1
InChIKey
KIBMVPIAQIATCD-HZPDHXFCSA-N
Compound name
(3aR,6aR)-4,4,6,6-tetrakis(prop-2-enyl)-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.20892 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.216196 170.9
[M+Na]+ 311.198138 177.6
[M-H]- 287.201644 173.6
[M+NH4]+ 306.242743 193.4
[M+K]+ 327.172078 172.0
[M+H-H2O]+ 271.206180 167.9
[M+HCOO]- 333.207121 187.7
[M+CH3COO]- 347.222771 201.1
[M+Na-2H]- 309.183586 170.6
[M]+ 288.20837142 170.8
[M]- 288.20946858 170.8
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.