CID 129925302

Schembl31064944

Structural Information

Molecular Formula
C7H6O5
SMILES
COC1=CC=C(OC1=O)C(=O)O
InChI
InChI=1S/C7H6O5/c1-11-5-3-2-4(6(8)9)12-7(5)10/h2-3H,1H3,(H,8,9)
InChIKey
OOTKEMZEJVTQBA-UHFFFAOYSA-N
Compound name
5-methoxy-6-oxopyran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

170.02153 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02881 126.9
[M+Na]+ 193.01075 136.8
[M-H]- 169.01425 131.0
[M+NH4]+ 188.05535 145.6
[M+K]+ 208.98469 137.4
[M+H-H2O]+ 153.01879 121.7
[M+HCOO]- 215.01973 150.3
[M+CH3COO]- 229.03538 174.6
[M+Na-2H]- 190.99620 134.3
[M]+ 170.02098 130.9
[M]- 170.02208 130.9
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