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

31
Patents

172.07356 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.080836 133.9
[M+Na]+ 195.062778 139.9
[M-H]- 171.066284 137.7
[M+NH4]+ 190.107383 154.5
[M+K]+ 211.036718 141.5
[M+H-H2O]+ 155.070820 129.2
[M+HCOO]- 217.071761 153.9
[M+CH3COO]- 231.087411 175.5
[M+Na-2H]- 193.048226 140.9
[M]+ 172.07301142 133.9
[M]- 172.07410858 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