CID 165604267

4-carbamoyloxolane-3-carboxylic acid

Structural Information

Molecular Formula
C6H9NO4
SMILES
C1C(C(CO1)C(=O)O)C(=O)N
InChI
InChI=1S/C6H9NO4/c7-5(8)3-1-11-2-4(3)6(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)
InChIKey
DZIKDWMMOJDFLR-UHFFFAOYSA-N
Compound name
4-carbamoyloxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.05316 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06044 131.5
[M+Na]+ 182.04238 137.4
[M-H]- 158.04588 133.7
[M+NH4]+ 177.08698 151.0
[M+K]+ 198.01632 138.1
[M+H-H2O]+ 142.05042 126.4
[M+HCOO]- 204.05136 151.9
[M+CH3COO]- 218.06701 174.2
[M+Na-2H]- 180.02783 133.7
[M]+ 159.05261 128.4
[M]- 159.05371 128.4
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

No patent data available for this compound.