CID 3050130

65861-66-7

Structural Information

Molecular Formula
C24H46O4
SMILES
CCCCCCCCCC(=O)OC(C)C(C)OC(=O)CCCCCCCCC
InChI
InChI=1S/C24H46O4/c1-5-7-9-11-13-15-17-19-23(25)27-21(3)22(4)28-24(26)20-18-16-14-12-10-8-6-2/h21-22H,5-20H2,1-4H3
InChIKey
QPCXRGXFVSBNGX-UHFFFAOYSA-N
Compound name
3-decanoyloxybutan-2-yl decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.3396 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.346876 211.7
[M+Na]+ 421.328818 211.2
[M-H]- 397.332324 208.9
[M+NH4]+ 416.373423 216.9
[M+K]+ 437.302758 209.0
[M+H-H2O]+ 381.336860 203.9
[M+HCOO]- 443.337801 217.3
[M+CH3COO]- 457.353451 228.6
[M+Na-2H]- 419.314266 204.3
[M]+ 398.33905142 221.5
[M]- 398.34014858 221.5
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

No patent data available for this compound.