CID 77830

Diethyl cyclopentane-1,1-dicarboxylate

Structural Information

Molecular Formula
C11H18O4
SMILES
CCOC(=O)C1(CCCC1)C(=O)OCC
InChI
InChI=1S/C11H18O4/c1-3-14-9(12)11(7-5-6-8-11)10(13)15-4-2/h3-8H2,1-2H3
InChIKey
NAKRHRXBVSLQAO-UHFFFAOYSA-N
Compound name
diethyl cyclopentane-1,1-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

214.12051 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12779 149.7
[M+Na]+ 237.10973 155.0
[M-H]- 213.11323 152.6
[M+NH4]+ 232.15433 171.7
[M+K]+ 253.08367 155.2
[M+H-H2O]+ 197.11777 145.0
[M+HCOO]- 259.11871 170.6
[M+CH3COO]- 273.13436 184.4
[M+Na-2H]- 235.09518 151.5
[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

literature stripe

Patent stripe

patents stripe