CID 166371

Decyl isovalerate

Structural Information

Molecular Formula
C15H30O2
SMILES
CCCCCCCCCCOC(=O)CC(C)C
InChI
InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h14H,4-13H2,1-3H3
InChIKey
VKGHOXUAAAZEBE-UHFFFAOYSA-N
Compound name
decyl 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

242.22458 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.23186 163.7
[M+Na]+ 265.21380 171.9
[M+NH4]+ 260.25840 170.0
[M+K]+ 281.18774 165.4
[M-H]- 241.21730 162.3
[M+Na-2H]- 263.19925 164.8
[M]+ 242.22403 164.2
[M]- 242.22513 164.2
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