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]+ 217.107056 146.9
[M+Na]+ 239.088998 151.3
[M-H]- 215.092504 148.9
[M+NH4]+ 234.133603 164.9
[M+K]+ 255.062938 152.5
[M+H-H2O]+ 199.097040 142.0
[M+HCOO]- 261.097981 163.9
[M+CH3COO]- 275.113631 182.1
[M+Na-2H]- 237.074446 151.2
[M]+ 216.09923142 146.6
[M]- 216.10032858 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.