CID 3021700

Diethyl 1,2-cyclopentanedicarboxylate

Structural Information

Molecular Formula
C11H18O4
SMILES
CCOC(=O)C1CCCC1C(=O)OCC
InChI
InChI=1S/C11H18O4/c1-3-14-10(12)8-6-5-7-9(8)11(13)15-4-2/h8-9H,3-7H2,1-2H3
InChIKey
YLRALQSVMCXBSD-UHFFFAOYSA-N
Compound name
diethyl cyclopentane-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

214.12051 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12779 149.6
[M+Na]+ 237.10973 155.0
[M-H]- 213.11323 152.5
[M+NH4]+ 232.15433 169.9
[M+K]+ 253.08367 155.0
[M+H-H2O]+ 197.11777 144.1
[M+HCOO]- 259.11871 170.6
[M+CH3COO]- 273.13436 186.0
[M+Na-2H]- 235.09518 149.5
[M]+ 214.11996 151.4
[M]- 214.12106 151.4
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