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]+ 160.060436 131.5
[M+Na]+ 182.042378 137.4
[M-H]- 158.045884 133.7
[M+NH4]+ 177.086983 151.0
[M+K]+ 198.016318 138.1
[M+H-H2O]+ 142.050420 126.4
[M+HCOO]- 204.051361 151.9
[M+CH3COO]- 218.067011 174.2
[M+Na-2H]- 180.027826 133.7
[M]+ 159.05261142 128.4
[M]- 159.05370858 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.