CID 72715835

(l)-suberyl carnitine

Structural Information

Molecular Formula
C15H28NO6
SMILES
C[N+](C)(C)CC(CC(=O)O)OC(=O)CCCCCCC(=O)O
InChI
InChI=1S/C15H27NO6/c1-16(2,3)11-12(10-14(19)20)22-15(21)9-7-5-4-6-8-13(17)18/h12H,4-11H2,1-3H3,(H-,17,18,19,20)/p+1
InChIKey
YVWVEIPYMGBQPE-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(7-carboxyheptanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

318.19165 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19893 174.3
[M+Na]+ 341.18087 176.6
[M-H]- 317.18437 185.7
[M+NH4]+ 336.22547 189.5
[M+K]+ 357.15481 171.0
[M+H-H2O]+ 301.18891 171.3
[M+HCOO]- 363.18985 194.9
[M+CH3COO]- 377.20550 201.2
[M+Na-2H]- 339.16632 175.7
[M]+ 318.19110 183.5
[M]- 318.19220 183.5
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.