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]+ 277.21620 152.5
[M+Na]+ 299.19814 163.0
[M-H]- 275.20164 156.2
[M+NH4]+ 294.24274 156.6
[M+K]+ 315.17208 158.1
[M+H-H2O]+ 259.20618 148.3
[M+HCOO]- 321.20712 158.1
[M+CH3COO]- 335.22277 159.6
[M+Na-2H]- 297.18359 162.3
[M]+ 276.20837 157.3
[M]- 276.20947 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.