CID 56843111

84963-28-0

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=CC2C(CC1CC2C(C=C)O)C(C)C
InChI
InChI=1S/C15H24O/c1-5-15(16)14-8-11-7-12(9(2)3)13(14)6-10(11)4/h5-6,9,11-16H,1,7-8H2,2-4H3
InChIKey
MZJUQBVUARQFQQ-UHFFFAOYSA-N
Compound name
1-(5-methyl-7-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 157.8
[M+Na]+ 243.17193 161.3
[M-H]- 219.17543 153.1
[M+NH4]+ 238.21653 180.4
[M+K]+ 259.14587 157.9
[M+H-H2O]+ 203.17997 153.9
[M+HCOO]- 265.18091 165.9
[M+CH3COO]- 279.19656 197.8
[M+Na-2H]- 241.15738 162.5
[M]+ 220.18216 158.6
[M]- 220.18326 158.6
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.