CID 446666

87392-07-2

Structural Information

Molecular Formula
C5H8O3
SMILES
C1C[C@H](OC1)C(=O)O
InChI
InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
InChIKey
UJJLJRQIPMGXEZ-BYPYZUCNSA-N
Compound name
(2S)-oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

8812
Patents

116.04734 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.054616 120.8
[M+Na]+ 139.036558 127.3
[M-H]- 115.040064 123.5
[M+NH4]+ 134.081163 142.8
[M+K]+ 155.010498 128.3
[M+H-H2O]+ 99.044600 116.4
[M+HCOO]- 161.045541 141.9
[M+CH3COO]- 175.061191 163.3
[M+Na-2H]- 137.022006 126.2
[M]+ 116.04679142 118.7
[M]- 116.04788858 118.7
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