CID 156961627

3,5-dihydroxydecanoylcarnitine

Structural Information

Molecular Formula
C17H34NO6
SMILES
CCCCCC(CC(CC(=O)OC(CC(=O)O)C[N+](C)(C)C)O)O
InChI
InChI=1S/C17H33NO6/c1-5-6-7-8-13(19)9-14(20)10-17(23)24-15(11-16(21)22)12-18(2,3)4/h13-15,19-20H,5-12H2,1-4H3/p+1
InChIKey
RBWMTXOXYXHCIM-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(3,5-dihydroxydecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.23862 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.24590 184.7
[M+Na]+ 371.22784 199.8
[M-H]- 347.23134 193.9
[M+NH4]+ 366.27244 196.9
[M+K]+ 387.20178 179.6
[M+H-H2O]+ 331.23588 181.6
[M+HCOO]- 393.23682 197.9
[M+CH3COO]- 407.25247 206.4
[M+Na-2H]- 369.21329 183.3
[M]+ 348.23807 190.7
[M]- 348.23917 190.7
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.