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 176.8
[M+Na]+ 357.17580 194.7
[M-H]- 333.17930 189.0
[M+NH4]+ 352.22040 192.7
[M+K]+ 373.14974 174.1
[M+H-H2O]+ 317.18384 173.6
[M+HCOO]- 379.18478 197.5
[M+CH3COO]- 393.20043 202.5
[M+Na-2H]- 355.16125 178.5
[M]+ 334.18603 185.9
[M]- 334.18713 185.9
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.