CID 12308852

1-(3-hydroxy-7a-methyl-5-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1h-inden-3a-yl)ethanone

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(=C)C1CCC2(CCC(C2(C1)C(=O)C)O)C
InChI
InChI=1S/C15H24O2/c1-10(2)12-5-7-14(4)8-6-13(17)15(14,9-12)11(3)16/h12-13,17H,1,5-9H2,2-4H3
InChIKey
YALFFHSIVPCNLF-UHFFFAOYSA-N
Compound name
1-(3-hydroxy-7a-methyl-5-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-inden-3a-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

236.17763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 157.5
[M+Na]+ 259.16685 163.0
[M-H]- 235.17035 159.8
[M+NH4]+ 254.21145 181.3
[M+K]+ 275.14079 159.8
[M+H-H2O]+ 219.17489 154.1
[M+HCOO]- 281.17583 172.0
[M+CH3COO]- 295.19148 191.3
[M+Na-2H]- 257.15230 157.5
[M]+ 236.17708 153.0
[M]- 236.17818 153.0
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