CID 3022909

Ethyl 5-oxodecanoate

Structural Information

Molecular Formula
C12H22O3
SMILES
CCCCCC(=O)CCCC(=O)OCC
InChI
InChI=1S/C12H22O3/c1-3-5-6-8-11(13)9-7-10-12(14)15-4-2/h3-10H2,1-2H3
InChIKey
ZAHUTEIIIFGYHV-UHFFFAOYSA-N
Compound name
ethyl 5-oxodecanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

53
Patents

214.15689 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.16417 153.3
[M+Na]+ 237.14611 158.2
[M-H]- 213.14961 152.7
[M+NH4]+ 232.19071 172.0
[M+K]+ 253.12005 157.6
[M+H-H2O]+ 197.15415 147.7
[M+HCOO]- 259.15509 174.3
[M+CH3COO]- 273.17074 190.4
[M+Na-2H]- 235.13156 154.7
[M]+ 214.15634 158.5
[M]- 214.15744 158.5
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