CID 21639668

1,3-diethyl 2-cyclobutylpropanedioate

Structural Information

Molecular Formula
C11H18O4
SMILES
CCOC(=O)C(C1CCC1)C(=O)OCC
InChI
InChI=1S/C11H18O4/c1-3-14-10(12)9(8-6-5-7-8)11(13)15-4-2/h8-9H,3-7H2,1-2H3
InChIKey
ZULXCGVXEGQINO-UHFFFAOYSA-N
Compound name
diethyl 2-cyclobutylpropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

214.12051 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12779 149.9
[M+Na]+ 237.10973 152.8
[M-H]- 213.11323 152.5
[M+NH4]+ 232.15433 161.6
[M+K]+ 253.08367 156.5
[M+H-H2O]+ 197.11777 138.7
[M+HCOO]- 259.11871 168.5
[M+CH3COO]- 273.13436 190.8
[M+Na-2H]- 235.09518 150.2
[M]+ 214.11996 160.8
[M]- 214.12106 160.8
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