CID 56843109

Einecs 284-823-2

Structural Information

Molecular Formula
C17H28O2
SMILES
CC1C(C/C=C(\CCC2C1CC2(C)C)/C)OC(=O)C
InChI
InChI=1S/C17H28O2/c1-11-6-8-15-14(10-17(15,4)5)12(2)16(9-7-11)19-13(3)18/h7,12,14-16H,6,8-10H2,1-5H3/b11-7-
InChIKey
KHMKMDPIRWLYKU-XFFZJAGNSA-N
Compound name
[(5Z)-2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undec-5-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.20892 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.216196 151.7
[M+Na]+ 287.198138 162.5
[M-H]- 263.201644 155.5
[M+NH4]+ 282.242743 155.9
[M+K]+ 303.172078 157.4
[M+H-H2O]+ 247.206180 147.6
[M+HCOO]- 309.207121 157.4
[M+CH3COO]- 323.222771 159.0
[M+Na-2H]- 285.183586 161.7
[M]+ 264.20837142 156.6
[M]- 264.20946858 156.6
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.