CID 2747927

1,2-cyclohexanedicarboxylic acid, 1,2-ethanediyl ester

Structural Information

Molecular Formula
C18H26O8
SMILES
C1CCC(C(C1)C(=O)O)C(=O)OCCOC(=O)C2CCCCC2C(=O)O
InChI
InChI=1S/C18H26O8/c19-15(20)11-5-1-3-7-13(11)17(23)25-9-10-26-18(24)14-8-4-2-6-12(14)16(21)22/h11-14H,1-10H2,(H,19,20)(H,21,22)
InChIKey
PDZQDZYDKNSOJM-UHFFFAOYSA-N
Compound name
2-[2-(2-carboxycyclohexanecarbonyl)oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

370.16278 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.170056 182.7
[M+Na]+ 393.151998 181.6
[M-H]- 369.155504 183.9
[M+NH4]+ 388.196603 191.9
[M+K]+ 409.125938 181.4
[M+H-H2O]+ 353.160040 175.4
[M+HCOO]- 415.160981 192.3
[M+CH3COO]- 429.176631 210.4
[M+Na-2H]- 391.137446 176.9
[M]+ 370.16223142 178.0
[M]- 370.16332858 178.0
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