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

1
Patents

160.03717 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04445 128.0
[M+Na]+ 183.02639 133.4
[M-H]- 159.02989 131.1
[M+NH4]+ 178.07099 141.8
[M+K]+ 199.00033 138.6
[M+H-H2O]+ 143.03443 119.2
[M+HCOO]- 205.03537 147.1
[M+CH3COO]- 219.05102 175.2
[M+Na-2H]- 181.01184 134.1
[M]+ 160.03662 138.4
[M]- 160.03772 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