CID 12511667

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

Structural Information

Molecular Formula
C6H8O3
SMILES
C1CC=C(OC1)C(=O)O
InChI
InChI=1S/C6H8O3/c7-6(8)5-3-1-2-4-9-5/h3H,1-2,4H2,(H,7,8)
InChIKey
OXUPSEKWDOSMIN-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

98
Patents

128.04735 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe