CID 3072473

Tridecanoyl carnitine

Structural Information

Molecular Formula
C20H40NO4
SMILES
CCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C20H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-20(24)25-18(16-19(22)23)17-21(2,3)4/h18H,5-17H2,1-4H3/p+1
InChIKey
OLAOWMDKXPIITQ-UHFFFAOYSA-O
Compound name
(3-carboxy-2-tridecanoyloxypropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

358.29575 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.30303 194.4
[M+Na]+ 381.28497 195.3
[M-H]- 357.28847 201.4
[M+NH4]+ 376.32957 208.7
[M+K]+ 397.25891 188.3
[M+H-H2O]+ 341.29301 190.5
[M+HCOO]- 403.29395 216.6
[M+CH3COO]- 417.30960 214.8
[M+Na-2H]- 379.27042 194.4
[M]+ 358.29520 204.9
[M]- 358.29630 204.9
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

patents stripe