CID 156962950

(8s)-8-amino-7-oxononanoylcarnitine

Structural Information

Molecular Formula
C16H31N2O5
SMILES
CC(C(=O)CCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C)N
InChI
InChI=1S/C16H30N2O5/c1-12(17)14(19)8-6-5-7-9-16(22)23-13(10-15(20)21)11-18(2,3)4/h12-13H,5-11,17H2,1-4H3/p+1
InChIKey
IFOHXRVAXASLQG-UHFFFAOYSA-O
Compound name
[2-(8-amino-7-oxononanoyl)oxy-3-carboxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.2233 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.23058 179.2
[M+Na]+ 354.21252 180.5
[M-H]- 330.21602 194.4
[M+NH4]+ 349.25712 196.7
[M+K]+ 370.18646 175.4
[M+H-H2O]+ 314.22056 175.6
[M+HCOO]- 376.22150 197.2
[M+CH3COO]- 390.23715 209.9
[M+Na-2H]- 352.19797 178.5
[M]+ 331.22275 187.4
[M]- 331.22385 187.4
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.