CID 171117722

O-7z-tetradecenoyl-r-carnitine

Structural Information

Molecular Formula
C21H40NO4
SMILES
CCCCCC/C=C\CCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h10-11,19H,5-9,12-18H2,1-4H3/p+1/b11-10-/t19-/m1/s1
InChIKey
DDSIETAJPRUVHI-OEIFXAAASA-O
Compound name
[(2R)-3-carboxy-2-[(Z)-tetradec-7-enoyl]oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.29575 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.30303 197.6
[M+Na]+ 393.28497 215.0
[M-H]- 369.28847 203.1
[M+NH4]+ 388.32957 210.3
[M+K]+ 409.25891 190.5
[M+H-H2O]+ 353.29301 193.6
[M+HCOO]- 415.29395 218.3
[M+CH3COO]- 429.30960 216.1
[M+Na-2H]- 391.27042 197.1
[M]+ 370.29520 205.9
[M]- 370.29630 205.9
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.