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]+ 221.189986 157.8
[M+Na]+ 243.171928 161.3
[M-H]- 219.175434 153.1
[M+NH4]+ 238.216533 180.4
[M+K]+ 259.145868 157.9
[M+H-H2O]+ 203.179970 153.9
[M+HCOO]- 265.180911 165.9
[M+CH3COO]- 279.196561 197.8
[M+Na-2H]- 241.157376 162.5
[M]+ 220.18216142 158.6
[M]- 220.18325858 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.