CID 73693929

Dtxsid60889050

Structural Information

Molecular Formula
C17H28O2
SMILES
CC1=C(C(CCC1)(C)C)CCC(=CCC(=O)OC)C
InChI
InChI=1S/C17H28O2/c1-13(9-11-16(18)19-5)8-10-15-14(2)7-6-12-17(15,3)4/h9H,6-8,10-12H2,1-5H3
InChIKey
RHIVEMKMSIGPND-UHFFFAOYSA-N
Compound name
methyl 4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

264.20892 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 165.1
[M+Na]+ 287.19814 170.1
[M-H]- 263.20164 167.9
[M+NH4]+ 282.24274 184.2
[M+K]+ 303.17208 167.9
[M+H-H2O]+ 247.20618 159.9
[M+HCOO]- 309.20712 183.0
[M+CH3COO]- 323.22277 200.7
[M+Na-2H]- 285.18359 164.7
[M]+ 264.20837 166.3
[M]- 264.20947 166.3
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

patents stripe