CID 11694022

75338-17-9

Structural Information

Molecular Formula
C9H14O4
SMILES
COC(=O)CC(=O)C1CCOCC1
InChI
InChI=1S/C9H14O4/c1-12-9(11)6-8(10)7-2-4-13-5-3-7/h7H,2-6H2,1H3
InChIKey
DJMDVBNUOMSULY-UHFFFAOYSA-N
Compound name
methyl 3-(oxan-4-yl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

186.0892 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 139.5
[M+Na]+ 209.078418 143.9
[M-H]- 185.081924 142.9
[M+NH4]+ 204.123023 157.4
[M+K]+ 225.052358 145.4
[M+H-H2O]+ 169.086460 133.7
[M+HCOO]- 231.087401 158.2
[M+CH3COO]- 245.103051 179.9
[M+Na-2H]- 207.063866 143.4
[M]+ 186.08865142 138.9
[M]- 186.08974858 138.9
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