CID 139087999

1-(6-hydroxy-7-(propan-2-yl)-4-methylidene-2,3,3a,4,5,6,7,7a-octahydro-1h-inden-1-yl)ethanone

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(C)[C@H]1[C@@H](CC(=C)[C@@H]2[C@@H]1[C@@H](CC2)C(=O)C)O
InChI
InChI=1S/C15H24O2/c1-8(2)14-13(17)7-9(3)11-5-6-12(10(4)16)15(11)14/h8,11-15,17H,3,5-7H2,1-2,4H3/t11-,12+,13-,14+,15-/m1/s1
InChIKey
PJKDZBIZDKARAM-QKGCVVFFSA-N
Compound name
1-[(1R,3aS,6R,7R,7aS)-6-hydroxy-4-methylidene-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19052
References

0
Patents

236.17763 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 157.7
[M+Na]+ 259.166848 163.0
[M-H]- 235.170354 160.1
[M+NH4]+ 254.211453 178.1
[M+K]+ 275.140788 159.7
[M+H-H2O]+ 219.174890 153.4
[M+HCOO]- 281.175831 172.2
[M+CH3COO]- 295.191481 194.6
[M+Na-2H]- 257.152296 154.1
[M]+ 236.17708142 153.3
[M]- 236.17817858 153.3
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

No patent data available for this compound.