CID 106951

67905-40-2

Structural Information

Molecular Formula
C16H24O3
SMILES
CC1=CCCC(C1C=CC2(C(O2)C(=O)OC)C)(C)C
InChI
InChI=1S/C16H24O3/c1-11-7-6-9-15(2,3)12(11)8-10-16(4)13(19-16)14(17)18-5/h7-8,10,12-13H,6,9H2,1-5H3
InChIKey
WOCOGWMEEYJGLH-UHFFFAOYSA-N
Compound name
methyl 3-methyl-3-[2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]oxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

264.17255 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17983 159.9
[M+Na]+ 287.16177 168.9
[M-H]- 263.16527 168.4
[M+NH4]+ 282.20637 175.1
[M+K]+ 303.13571 168.8
[M+H-H2O]+ 247.16981 155.5
[M+HCOO]- 309.17075 178.0
[M+CH3COO]- 323.18640 200.8
[M+Na-2H]- 285.14722 163.5
[M]+ 264.17200 165.8
[M]- 264.17310 165.8
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

patents stripe