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 160.1
[M+Na]+ 243.17193 165.0
[M-H]- 219.17543 156.0
[M+NH4]+ 238.21653 183.1
[M+K]+ 259.14587 162.2
[M+H-H2O]+ 203.17997 156.7
[M+HCOO]- 265.18091 168.9
[M+CH3COO]- 279.19656 197.8
[M+Na-2H]- 241.15738 167.6
[M]+ 220.18216 163.3
[M]- 220.18326 163.3
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