CID 211194

Dodecyl 2-propylvalerate

Structural Information

Molecular Formula
C20H40O2
SMILES
CCCCCCCCCCCCOC(=O)C(CCC)CCC
InChI
InChI=1S/C20H40O2/c1-4-7-8-9-10-11-12-13-14-15-18-22-20(21)19(16-5-2)17-6-3/h19H,4-18H2,1-3H3
InChIKey
FNUPZOKINFXARH-UHFFFAOYSA-N
Compound name
dodecyl 2-propylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

312.30283 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.31011 188.9
[M+Na]+ 335.29205 190.3
[M-H]- 311.29555 186.8
[M+NH4]+ 330.33665 203.8
[M+K]+ 351.26599 187.6
[M+H-H2O]+ 295.30009 181.9
[M+HCOO]- 357.30103 206.8
[M+CH3COO]- 371.31668 213.2
[M+Na-2H]- 333.27750 185.9
[M]+ 312.30228 196.4
[M]- 312.30338 196.4
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