CID 73828339

7-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1CC(CC2C1(CC(CC2=O)C(=C)C)C)O
InChI
InChI=1S/C15H24O2/c1-9(2)11-6-14(17)13-7-12(16)5-10(3)15(13,4)8-11/h10-13,16H,1,5-8H2,2-4H3
InChIKey
MZPGODIAQREELD-UHFFFAOYSA-N
Compound name
7-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

236.17763 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 155.1
[M+Na]+ 259.16685 160.8
[M-H]- 235.17035 157.5
[M+NH4]+ 254.21145 175.8
[M+K]+ 275.14079 157.5
[M+H-H2O]+ 219.17489 150.7
[M+HCOO]- 281.17583 168.5
[M+CH3COO]- 295.19148 193.7
[M+Na-2H]- 257.15230 155.4
[M]+ 236.17708 149.6
[M]- 236.17818 149.6
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