CID 53426220

Dtxsid001006136

Structural Information

Molecular Formula
C17H28O2
SMILES
CCC(=CCC1C2CCC(C2)C1(C)C)COC(=O)C
InChI
InChI=1S/C17H28O2/c1-5-13(11-19-12(2)18)6-9-16-14-7-8-15(10-14)17(16,3)4/h6,14-16H,5,7-11H2,1-4H3
InChIKey
KPCGWZMBVFNLCQ-UHFFFAOYSA-N
Compound name
[4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-ethylbut-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.20892 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.216196 170.9
[M+Na]+ 287.198138 176.3
[M-H]- 263.201644 172.9
[M+NH4]+ 282.242743 194.9
[M+K]+ 303.172078 173.1
[M+H-H2O]+ 247.206180 167.1
[M+HCOO]- 309.207121 188.1
[M+CH3COO]- 323.222771 199.9
[M+Na-2H]- 285.183586 168.6
[M]+ 264.20837142 172.4
[M]- 264.20946858 172.4
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.