CID 25108316

1063949-39-2

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=C[C@H]2[C@H](C[C@@H]1C=C2C(C)(C)O)C(C)C
InChI
InChI=1S/C15H24O/c1-9(2)12-7-11-8-14(15(4,5)16)13(12)6-10(11)3/h6,8-9,11-13,16H,7H2,1-5H3/t11-,12-,13+/m1/s1
InChIKey
NDYITPSGAZLHSH-UPJWGTAASA-N
Compound name
2-[(1R,4R,7R)-5-methyl-7-propan-2-yl-2-bicyclo[2.2.2]octa-2,5-dienyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

220.18271 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 149.6
[M+Na]+ 243.17193 160.3
[M+NH4]+ 238.21653 160.1
[M+K]+ 259.14587 153.8
[M-H]- 219.17543 147.8
[M+Na-2H]- 241.15738 147.9
[M]+ 220.18216 150.7
[M]- 220.18326 150.7
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

patents stripe