CID 56842318

84522-28-1

Structural Information

Molecular Formula
C15H26O
SMILES
CC1CC2C(CC1CC2C(C=C)O)C(C)C
InChI
InChI=1S/C15H26O/c1-5-15(16)14-8-11-7-12(9(2)3)13(14)6-10(11)4/h5,9-16H,1,6-8H2,2-4H3
InChIKey
CPXNYDJEIBAYLC-UHFFFAOYSA-N
Compound name
1-(5-methyl-7-propan-2-yl-2-bicyclo[2.2.2]octanyl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 159.1
[M+Na]+ 245.18758 161.5
[M-H]- 221.19108 153.9
[M+NH4]+ 240.23218 181.4
[M+K]+ 261.16152 158.3
[M+H-H2O]+ 205.19562 155.2
[M+HCOO]- 267.19656 165.6
[M+CH3COO]- 281.21221 198.2
[M+Na-2H]- 243.17303 162.7
[M]+ 222.19781 158.3
[M]- 222.19891 158.3
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

No patent data available for this compound.