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

55
Patents

214.15689 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.164166 153.3
[M+Na]+ 237.146108 158.2
[M-H]- 213.149614 152.7
[M+NH4]+ 232.190713 172.0
[M+K]+ 253.120048 157.6
[M+H-H2O]+ 197.154150 147.7
[M+HCOO]- 259.155091 174.3
[M+CH3COO]- 273.170741 190.4
[M+Na-2H]- 235.131556 154.7
[M]+ 214.15634142 158.5
[M]- 214.15743858 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