CID 156961902

3,5-dihydroxydodecanoylcarnitine

Structural Information

Molecular Formula
C19H38NO6
SMILES
CCCCCCCC(CC(CC(=O)OC(CC(=O)O)C[N+](C)(C)C)O)O
InChI
InChI=1S/C19H37NO6/c1-5-6-7-8-9-10-15(21)11-16(22)12-19(25)26-17(13-18(23)24)14-20(2,3)4/h15-17,21-22H,5-14H2,1-4H3/p+1
InChIKey
UGBKRPVCAOZLLU-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(3,5-dihydroxydodecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.26993 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.27721 200.6
[M+Na]+ 399.25915 206.9
[M-H]- 375.26265 200.6
[M+NH4]+ 394.30375 204.3
[M+K]+ 415.23309 201.6
[M+H-H2O]+ 359.26719 195.5
[M+HCOO]- 421.26813 204.5
[M+CH3COO]- 435.28378 212.3
[M+Na-2H]- 397.24460 191.4
[M]+ 376.26938 197.9
[M]- 376.27048 197.9
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.