CID 6448202

2,3-butanediol bis(2-decenoate)-

Structural Information

Molecular Formula
C24H42O4
SMILES
CCCCCCC/C=C/C(=O)OC(C(OC(=O)/C=C/CCCCCCC)C)C
InChI
InChI=1S/C24H42O4/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/h17-22H,5-16H2,1-4H3/b19-17+,20-18+
InChIKey
ADQDCXXXKFMDPI-XPWSMXQVSA-N
Compound name
3-[(E)-dec-2-enoyl]oxybutan-2-yl (E)-dec-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.30832 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.31560 208.2
[M+Na]+ 417.29754 208.6
[M-H]- 393.30104 205.7
[M+NH4]+ 412.34214 213.4
[M+K]+ 433.27148 205.2
[M+H-H2O]+ 377.30558 200.8
[M+HCOO]- 439.30652 214.9
[M+CH3COO]- 453.32217 225.8
[M+Na-2H]- 415.28299 201.1
[M]+ 394.30777 216.5
[M]- 394.30887 216.5
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.