CID 125042076

2-[4-(ethoxycarbonyl)oxan-4-yl]acetic acid

Structural Information

Molecular Formula
C10H16O5
SMILES
CCOC(=O)C1(CCOCC1)CC(=O)O
InChI
InChI=1S/C10H16O5/c1-2-15-9(13)10(7-8(11)12)3-5-14-6-4-10/h2-7H2,1H3,(H,11,12)
InChIKey
BRPAOBTWWVIRKN-UHFFFAOYSA-N
Compound name
2-(4-ethoxycarbonyloxan-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.09978 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10706 146.9
[M+Na]+ 239.08900 151.3
[M-H]- 215.09250 148.9
[M+NH4]+ 234.13360 164.9
[M+K]+ 255.06294 152.5
[M+H-H2O]+ 199.09704 142.0
[M+HCOO]- 261.09798 163.9
[M+CH3COO]- 275.11363 182.1
[M+Na-2H]- 237.07445 151.2
[M]+ 216.09923 146.6
[M]- 216.10033 146.6
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

No patent data available for this compound.