CID 91358712

Methyl 2-formyloxolane-2-carboxylate

Structural Information

Molecular Formula
C7H10O4
SMILES
COC(=O)C1(CCCO1)C=O
InChI
InChI=1S/C7H10O4/c1-10-6(9)7(5-8)3-2-4-11-7/h5H,2-4H2,1H3
InChIKey
FJCVAWLDPYRGCE-UHFFFAOYSA-N
Compound name
methyl 2-formyloxolane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

158.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.065176 129.7
[M+Na]+ 181.047118 137.0
[M-H]- 157.050624 133.8
[M+NH4]+ 176.091723 152.7
[M+K]+ 197.021058 138.5
[M+H-H2O]+ 141.055160 125.7
[M+HCOO]- 203.056101 152.1
[M+CH3COO]- 217.071751 172.1
[M+Na-2H]- 179.032566 136.0
[M]+ 158.05735142 131.3
[M]- 158.05844858 131.3
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