CID 156962837

6-(2-hydroxyethoxy)-6-oxohexanoylcarnitine

Structural Information

Molecular Formula
C15H28NO7
SMILES
C[N+](C)(C)CC(CC(=O)O)OC(=O)CCCCC(=O)OCCO
InChI
InChI=1S/C15H27NO7/c1-16(2,3)11-12(10-13(18)19)23-15(21)7-5-4-6-14(20)22-9-8-17/h12,17H,4-11H2,1-3H3/p+1
InChIKey
KUTBTLVLAPQHSI-UHFFFAOYSA-O
Compound name
[3-carboxy-2-[6-(2-hydroxyethoxy)-6-oxohexanoyl]oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.18658 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.19386 175.4
[M+Na]+ 357.17580 180.8
[M+NH4]+ 352.22040 166.0
[M+K]+ 373.14974 180.9
[M-H]- 333.17930 171.3
[M+Na-2H]- 355.16125 173.8
[M]+ 334.18603 174.6
[M]- 334.18713 174.6
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.