CID 156961611

5-oxodecanoylcarnitine

Structural Information

Molecular Formula
C17H32NO5
SMILES
CCCCCC(=O)CCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C17H31NO5/c1-5-6-7-9-14(19)10-8-11-17(22)23-15(12-16(20)21)13-18(2,3)4/h15H,5-13H2,1-4H3/p+1
InChIKey
WEIQMTCVGQFAIN-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(5-oxodecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.22806 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.23534 180.9
[M+Na]+ 353.21728 183.0
[M-H]- 329.22078 191.5
[M+NH4]+ 348.26188 197.6
[M+K]+ 369.19122 177.2
[M+H-H2O]+ 313.22532 177.6
[M+HCOO]- 375.22626 202.5
[M+CH3COO]- 389.24191 207.6
[M+Na-2H]- 351.20273 181.5
[M]+ 330.22751 191.4
[M]- 330.22861 191.4
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.