CID 65450691

1447944-54-8

Structural Information

Molecular Formula
C7H9NO4
SMILES
C1CC1(C(=O)O)N2CCOC2=O
InChI
InChI=1S/C7H9NO4/c9-5(10)7(1-2-7)8-3-4-12-6(8)11/h1-4H2,(H,9,10)
InChIKey
IOWNLSJIAJVUSG-UHFFFAOYSA-N
Compound name
1-(2-oxo-1,3-oxazolidin-3-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

171.05316 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.060436 135.3
[M+Na]+ 194.042378 144.8
[M-H]- 170.045884 141.1
[M+NH4]+ 189.086983 150.9
[M+K]+ 210.016318 144.3
[M+H-H2O]+ 154.050420 130.3
[M+HCOO]- 216.051361 154.5
[M+CH3COO]- 230.067011 176.4
[M+Na-2H]- 192.027826 140.4
[M]+ 171.05261142 137.5
[M]- 171.05370858 137.5
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