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]+ 289.21620 170.9
[M+Na]+ 311.19814 177.6
[M-H]- 287.20164 173.6
[M+NH4]+ 306.24274 193.4
[M+K]+ 327.17208 172.0
[M+H-H2O]+ 271.20618 167.9
[M+HCOO]- 333.20712 187.7
[M+CH3COO]- 347.22277 201.1
[M+Na-2H]- 309.18359 170.6
[M]+ 288.20837 170.8
[M]- 288.20947 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.