CID 117704

Methyl 2-oxo-2h-pyran-3-carboxylate

Structural Information

Molecular Formula
C7H6O4
SMILES
COC(=O)C1=CC=COC1=O
InChI
InChI=1S/C7H6O4/c1-10-6(8)5-3-2-4-11-7(5)9/h2-4H,1H3
InChIKey
GJVZWOMUTYNUCE-UHFFFAOYSA-N
Compound name
methyl 2-oxopyran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

351
Patents

154.02661 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03389 124.1
[M+Na]+ 177.01583 133.7
[M-H]- 153.01933 129.3
[M+NH4]+ 172.06043 144.1
[M+K]+ 192.98977 134.7
[M+H-H2O]+ 137.02387 118.8
[M+HCOO]- 199.02481 148.9
[M+CH3COO]- 213.04046 173.0
[M+Na-2H]- 175.00128 132.7
[M]+ 154.02606 128.1
[M]- 154.02716 128.1
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