CID 156960984

9-methylundecanoylcarnitine

Structural Information

Molecular Formula
C19H38NO4
SMILES
CCC(C)CCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C19H37NO4/c1-6-16(2)12-10-8-7-9-11-13-19(23)24-17(14-18(21)22)15-20(3,4)5/h16-17H,6-15H2,1-5H3/p+1
InChIKey
UIFHWVSBOFXYHZ-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(9-methylundecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.2801 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.28738 189.2
[M+Na]+ 367.26932 190.3
[M-H]- 343.27282 198.3
[M+NH4]+ 362.31392 205.4
[M+K]+ 383.24326 184.1
[M+H-H2O]+ 327.27736 185.7
[M+HCOO]- 389.27830 209.8
[M+CH3COO]- 403.29395 212.6
[M+Na-2H]- 365.25477 188.6
[M]+ 344.27955 200.2
[M]- 344.28065 200.2
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.