CID 56843112

84963-29-1

Structural Information

Molecular Formula
C16H26O
SMILES
CC1C2CC(C(C1C(C=C)O)C=C2C)C(C)C
InChI
InChI=1S/C16H26O/c1-6-15(17)16-11(5)13-8-12(9(2)3)14(16)7-10(13)4/h6-7,9,11-17H,1,8H2,2-5H3
InChIKey
LEPGSXUGAUWCHA-UHFFFAOYSA-N
Compound name
1-(3,5-dimethyl-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

234.19836 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 162.6
[M+Na]+ 257.187578 166.5
[M-H]- 233.191084 158.0
[M+NH4]+ 252.232183 184.9
[M+K]+ 273.161518 163.0
[M+H-H2O]+ 217.195620 158.8
[M+HCOO]- 279.196561 170.2
[M+CH3COO]- 293.212211 202.0
[M+Na-2H]- 255.173026 166.0
[M]+ 234.19781142 164.0
[M]- 234.19890858 164.0
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.