CID 13415070

3,6-dihydro-2h-pyran-4-carboxylic acid

Structural Information

Molecular Formula
C6H8O3
SMILES
C1COCC=C1C(=O)O
InChI
InChI=1S/C6H8O3/c7-6(8)5-1-3-9-4-2-5/h1H,2-4H2,(H,7,8)
InChIKey
UUPGEYZIICSRGQ-UHFFFAOYSA-N
Compound name
3,6-dihydro-2H-pyran-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

128.04735 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.054626 122.6
[M+Na]+ 151.036568 128.8
[M-H]- 127.040074 125.3
[M+NH4]+ 146.081173 142.4
[M+K]+ 167.010508 129.6
[M+H-H2O]+ 111.044610 117.6
[M+HCOO]- 173.045551 142.8
[M+CH3COO]- 187.061201 166.3
[M+Na-2H]- 149.022016 129.8
[M]+ 128.04680142 120.3
[M]- 128.04789858 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

No literature data available for this compound.

Patent stripe

patents stripe