CID 194109

2-(5-oxooxolan-2-yl)acetic acid

Structural Information

Molecular Formula
C6H8O4
SMILES
C1CC(=O)OC1CC(=O)O
InChI
InChI=1S/C6H8O4/c7-5(8)3-4-1-2-6(9)10-4/h4H,1-3H2,(H,7,8)
InChIKey
BWEICTHJUIJQPH-UHFFFAOYSA-N
Compound name
2-(5-oxooxolan-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

104
Patents

144.04225 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 126.1
[M+Na]+ 167.03147 133.3
[M-H]- 143.03497 128.9
[M+NH4]+ 162.07607 147.1
[M+K]+ 183.00541 133.9
[M+H-H2O]+ 127.03951 121.7
[M+HCOO]- 189.04045 147.2
[M+CH3COO]- 203.05610 168.8
[M+Na-2H]- 165.01692 130.4
[M]+ 144.04170 125.5
[M]- 144.04280 125.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe