CID 42608146

(-)-1(10),11-eremophiladien-9beta-ol

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@H]1CCC=C2[C@@]1(C[C@@H](C[C@@H]2O)C(=C)C)C
InChI
InChI=1S/C15H24O/c1-10(2)12-8-14(16)13-7-5-6-11(3)15(13,4)9-12/h7,11-12,14,16H,1,5-6,8-9H2,2-4H3/t11-,12+,14-,15+/m0/s1
InChIKey
DPDBSHAVHRQWMU-MYZSUADSSA-N
Compound name
(1S,3S,4aR,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 152.8
[M+Na]+ 243.17193 158.4
[M-H]- 219.17543 155.3
[M+NH4]+ 238.21653 174.0
[M+K]+ 259.14587 154.8
[M+H-H2O]+ 203.17997 148.0
[M+HCOO]- 265.18091 167.3
[M+CH3COO]- 279.19656 190.7
[M+Na-2H]- 241.15738 154.4
[M]+ 220.18216 147.5
[M]- 220.18326 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

literature stripe

Patent stripe

No patent data available for this compound.