CID 156962932

8-(5-butylfuran-2-yl)octanoylcarnitine

Structural Information

Molecular Formula
C23H40NO5
SMILES
CCCCC1=CC=C(O1)CCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C23H39NO5/c1-5-6-12-19-15-16-20(28-19)13-10-8-7-9-11-14-23(27)29-21(17-22(25)26)18-24(2,3)4/h15-16,21H,5-14,17-18H2,1-4H3/p+1
InChIKey
IALAQKCSPOEJGX-UHFFFAOYSA-O
Compound name
[2-[8-(5-butylfuran-2-yl)octanoyloxy]-3-carboxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.29065 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.29793 203.1
[M+Na]+ 433.27987 210.1
[M+NH4]+ 428.32447 207.3
[M+K]+ 449.25381 208.5
[M-H]- 409.28337 204.1
[M+Na-2H]- 431.26532 203.0
[M]+ 410.29010 204.3
[M]- 410.29120 204.3
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.