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

50
Patents

186.0892 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 139.5
[M+Na]+ 209.07842 143.9
[M-H]- 185.08192 142.9
[M+NH4]+ 204.12302 157.4
[M+K]+ 225.05236 145.4
[M+H-H2O]+ 169.08646 133.7
[M+HCOO]- 231.08740 158.2
[M+CH3COO]- 245.10305 179.9
[M+Na-2H]- 207.06387 143.4
[M]+ 186.08865 138.9
[M]- 186.08975 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