CID 53418117

Methyl 4-formyloxane-4-carboxylate

Structural Information

Molecular Formula
C8H12O4
SMILES
COC(=O)C1(CCOCC1)C=O
InChI
InChI=1S/C8H12O4/c1-11-7(10)8(6-9)2-4-12-5-3-8/h6H,2-5H2,1H3
InChIKey
UOBOBPXYVZPVJL-UHFFFAOYSA-N
Compound name
methyl 4-formyloxane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

172.07356 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 133.9
[M+Na]+ 195.06278 139.9
[M-H]- 171.06628 137.7
[M+NH4]+ 190.10738 154.5
[M+K]+ 211.03672 141.5
[M+H-H2O]+ 155.07082 129.2
[M+HCOO]- 217.07176 153.9
[M+CH3COO]- 231.08741 175.5
[M+Na-2H]- 193.04823 140.9
[M]+ 172.07301 133.9
[M]- 172.07411 133.9
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