CID 16205922

93982-70-8

Structural Information

Molecular Formula
C17H28O2
SMILES
CC1=CCCC(C1/C=C/C(C)OC(=O)C(C)C)(C)C
InChI
InChI=1S/C17H28O2/c1-12(2)16(18)19-14(4)9-10-15-13(3)8-7-11-17(15,5)6/h8-10,12,14-15H,7,11H2,1-6H3/b10-9+
InChIKey
JRQIZSZWXIIECX-MDZDMXLPSA-N
Compound name
[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl] 2-methylpropanoate
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 164.5
[M+Na]+ 287.198138 169.3
[M-H]- 263.201644 167.4
[M+NH4]+ 282.242743 183.6
[M+K]+ 303.172078 167.6
[M+H-H2O]+ 247.206180 159.6
[M+HCOO]- 309.207121 181.5
[M+CH3COO]- 323.222771 201.6
[M+Na-2H]- 285.183586 163.0
[M]+ 264.20837142 165.1
[M]- 264.20946858 165.1
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.