CID 156962177

9-hydroxypentadecanoylcarnitine

Structural Information

Molecular Formula
C22H44NO5
SMILES
CCCCCCC(CCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C)O
InChI
InChI=1S/C22H43NO5/c1-5-6-7-11-14-19(24)15-12-9-8-10-13-16-22(27)28-20(17-21(25)26)18-23(2,3)4/h19-20,24H,5-18H2,1-4H3/p+1
InChIKey
SYVJURJTYJXGAK-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(9-hydroxypentadecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.32196 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.32924 212.0
[M+Na]+ 425.31118 218.8
[M-H]- 401.31468 209.3
[M+NH4]+ 420.35578 215.5
[M+K]+ 441.28512 214.1
[M+H-H2O]+ 385.31922 206.9
[M+HCOO]- 447.32016 218.7
[M+CH3COO]- 461.33581 220.7
[M+Na-2H]- 423.29663 201.8
[M]+ 402.32141 210.2
[M]- 402.32251 210.2
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.