CID 132992795

3-(methoxycarbonyl)oxetane-3-carboxylic acid

Structural Information

Molecular Formula
C6H8O5
SMILES
COC(=O)C1(COC1)C(=O)O
InChI
InChI=1S/C6H8O5/c1-10-5(9)6(4(7)8)2-11-3-6/h2-3H2,1H3,(H,7,8)
InChIKey
YXPKUUCPGGGSDI-UHFFFAOYSA-N
Compound name
3-methoxycarbonyloxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

160.03717 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.044446 128.0
[M+Na]+ 183.026388 133.4
[M-H]- 159.029894 131.1
[M+NH4]+ 178.070993 141.8
[M+K]+ 199.000328 138.6
[M+H-H2O]+ 143.034430 119.2
[M+HCOO]- 205.035371 147.1
[M+CH3COO]- 219.051021 175.2
[M+Na-2H]- 181.011836 134.1
[M]+ 160.03662142 138.4
[M]- 160.03771858 138.4
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