CID 6441362

72987-56-5

Structural Information

Molecular Formula
C18H28O2
SMILES
C/C/1=C/C/C=C(\C2CC(C2CC1)(C)C)/CCOC(=O)C
InChI
InChI=1S/C18H28O2/c1-13-6-5-7-15(10-11-20-14(2)19)16-12-18(3,4)17(16)9-8-13/h6-7,16-17H,5,8-12H2,1-4H3/b13-6-,15-7-
InChIKey
WXTWOJBDAKYXLP-GWMOXCNNSA-N
Compound name
2-[(2Z,5Z)-6,10,10-trimethyl-2-bicyclo[7.2.0]undeca-2,5-dienyl]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

276.20892 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.216196 152.5
[M+Na]+ 299.198138 163.0
[M-H]- 275.201644 156.2
[M+NH4]+ 294.242743 156.6
[M+K]+ 315.172078 158.1
[M+H-H2O]+ 259.206180 148.3
[M+HCOO]- 321.207121 158.1
[M+CH3COO]- 335.222771 159.6
[M+Na-2H]- 297.183586 162.3
[M]+ 276.20837142 157.3
[M]- 276.20946858 157.3
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.