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]+ 235.20564 162.6
[M+Na]+ 257.18758 166.5
[M-H]- 233.19108 158.0
[M+NH4]+ 252.23218 184.9
[M+K]+ 273.16152 163.0
[M+H-H2O]+ 217.19562 158.8
[M+HCOO]- 279.19656 170.2
[M+CH3COO]- 293.21221 202.0
[M+Na-2H]- 255.17303 166.0
[M]+ 234.19781 164.0
[M]- 234.19891 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.