CID 24938928

165101-55-3

Structural Information

Molecular Formula
C19H30O4
SMILES
CC1=C(C(CCC1)(C)C)CCC(C)C=C(C(=O)OC)C(=O)OC
InChI
InChI=1S/C19H30O4/c1-13(12-15(17(20)22-5)18(21)23-6)9-10-16-14(2)8-7-11-19(16,3)4/h12-13H,7-11H2,1-6H3
InChIKey
XMGQHEJRDAUXIN-UHFFFAOYSA-N
Compound name
dimethyl 2-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

322.21442 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.22170 179.4
[M+Na]+ 345.20364 187.3
[M+NH4]+ 340.24824 185.7
[M+K]+ 361.17758 181.2
[M-H]- 321.20714 178.5
[M+Na-2H]- 343.18909 181.6
[M]+ 322.21387 180.0
[M]- 322.21497 180.0
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