CID 5743899

85098-90-4

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=CCC2CC(CC(C2(C1)C)O)C(=C)C
InChI
InChI=1S/C15H24O/c1-10(2)12-7-13-6-5-11(3)9-15(13,4)14(16)8-12/h5,12-14,16H,1,6-9H2,2-4H3
InChIKey
PUKGQEFEWDTAKS-UHFFFAOYSA-N
Compound name
7,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 152.8
[M+Na]+ 243.171928 158.4
[M-H]- 219.175434 155.3
[M+NH4]+ 238.216533 174.0
[M+K]+ 259.145868 154.8
[M+H-H2O]+ 203.179970 148.0
[M+HCOO]- 265.180911 167.3
[M+CH3COO]- 279.196561 190.7
[M+Na-2H]- 241.157376 154.4
[M]+ 220.18216142 147.5
[M]- 220.18325858 147.5
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.