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]+ 399.34688 211.7
[M+Na]+ 421.32882 211.2
[M-H]- 397.33232 208.9
[M+NH4]+ 416.37342 216.9
[M+K]+ 437.30276 209.0
[M+H-H2O]+ 381.33686 203.9
[M+HCOO]- 443.33780 217.3
[M+CH3COO]- 457.35345 228.6
[M+Na-2H]- 419.31427 204.3
[M]+ 398.33905 221.5
[M]- 398.34015 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.