CID 122173817

73088-51-4

Structural Information

Molecular Formula
C15H24O
SMILES
C/C/1=C\C[C@H]2[C@@H](CC2(C)C)C(=C)CC[C@H]1O
InChI
InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,12-14,16H,1,6-9H2,2-4H3/b11-5+/t12-,13-,14+/m0/s1
InChIKey
DWUYGFWOANEJRE-JNUUOJQQSA-N
Compound name
(1S,3E,5R,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-en-5-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

14
Patents

220.18271 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 148.6
[M+Na]+ 243.17193 159.8
[M-H]- 219.17543 152.7
[M+NH4]+ 238.21653 153.1
[M+K]+ 259.14587 154.6
[M+H-H2O]+ 203.17997 144.8
[M+HCOO]- 265.18091 154.6
[M+CH3COO]- 279.19656 156.2
[M+Na-2H]- 241.15738 159.1
[M]+ 220.18216 153.8
[M]- 220.18326 153.8
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.