CID 71468629

Ethyl 5-formyloxydecanoate

Structural Information

Molecular Formula
C13H24O4
SMILES
CCCCCC(CCCC(=O)OCC)OC=O
InChI
InChI=1S/C13H24O4/c1-3-5-6-8-12(17-11-14)9-7-10-13(15)16-4-2/h11-12H,3-10H2,1-2H3
InChIKey
QFNRRKOXUZESMQ-UHFFFAOYSA-N
Compound name
ethyl 5-formyloxydecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

52
Patents

244.16747 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.174746 160.6
[M+Na]+ 267.156688 165.1
[M-H]- 243.160194 159.8
[M+NH4]+ 262.201293 178.0
[M+K]+ 283.130628 164.6
[M+H-H2O]+ 227.164730 154.6
[M+HCOO]- 289.165671 181.5
[M+CH3COO]- 303.181321 195.3
[M+Na-2H]- 265.142136 161.6
[M]+ 244.16692142 167.7
[M]- 244.16801858 167.7
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