CID 68587950

4-(methoxycarbonyl)oxane-4-carboxylic acid

Structural Information

Molecular Formula
C8H12O5
SMILES
COC(=O)C1(CCOCC1)C(=O)O
InChI
InChI=1S/C8H12O5/c1-12-7(11)8(6(9)10)2-4-13-5-3-8/h2-5H2,1H3,(H,9,10)
InChIKey
AFDILZPEVGQEQU-UHFFFAOYSA-N
Compound name
4-methoxycarbonyloxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

188.06847 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07575 137.7
[M+Na]+ 211.05769 142.9
[M-H]- 187.06119 140.1
[M+NH4]+ 206.10229 156.8
[M+K]+ 227.03163 144.6
[M+H-H2O]+ 171.06573 133.1
[M+HCOO]- 233.06667 155.3
[M+CH3COO]- 247.08232 176.0
[M+Na-2H]- 209.04314 143.0
[M]+ 188.06792 136.6
[M]- 188.06902 136.6
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

patents stripe