CID 118140

Potassium 3,4-dihydro-2h-pyran-2-carboxylate

Structural Information

Molecular Formula
C6H8O3
SMILES
C1CC(OC=C1)C(=O)O
InChI
InChI=1S/C6H8O3/c7-6(8)5-3-1-2-4-9-5/h2,4-5H,1,3H2,(H,7,8)
InChIKey
OTLWUWJIIXAOEO-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

670
Patents

128.04735 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 122.6
[M+Na]+ 151.03657 128.8
[M-H]- 127.04007 125.3
[M+NH4]+ 146.08117 142.4
[M+K]+ 167.01051 129.6
[M+H-H2O]+ 111.04461 117.6
[M+HCOO]- 173.04555 142.8
[M+CH3COO]- 187.06120 166.3
[M+Na-2H]- 149.02202 129.8
[M]+ 128.04680 120.3
[M]- 128.04790 120.3
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

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