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]+ 129.05463 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

No literature data available for this compound.

Patent stripe

patents stripe