CID 66939

2-ethoxyethyl dodecanoate

Structural Information

Molecular Formula
C16H32O3
SMILES
CCCCCCCCCCCC(=O)OCCOCC
InChI
InChI=1S/C16H32O3/c1-3-5-6-7-8-9-10-11-12-13-16(17)19-15-14-18-4-2/h3-15H2,1-2H3
InChIKey
ZZEVAQRDBLJTKL-UHFFFAOYSA-N
Compound name
2-ethoxyethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

272.23514 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.24242 172.9
[M+Na]+ 295.22436 176.1
[M-H]- 271.22786 171.4
[M+NH4]+ 290.26896 189.4
[M+K]+ 311.19830 174.6
[M+H-H2O]+ 255.23240 166.3
[M+HCOO]- 317.23334 193.4
[M+CH3COO]- 331.24899 202.4
[M+Na-2H]- 293.20981 173.4
[M]+ 272.23459 181.0
[M]- 272.23569 181.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe