CID 53481661

Nonanoylcarnitine

Structural Information

Molecular Formula
C16H32NO4
SMILES
CCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C16H31NO4/c1-5-6-7-8-9-10-11-16(20)21-14(12-15(18)19)13-17(2,3)4/h14H,5-13H2,1-4H3/p+1
InChIKey
MPSPNFAQQQMFLK-UHFFFAOYSA-O
Compound name
(3-carboxy-2-nonanoyloxypropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

75
Patents

302.23312 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.24040 173.8
[M+Na]+ 325.22234 181.2
[M+NH4]+ 320.26694 179.0
[M+K]+ 341.19628 178.3
[M-H]- 301.22584 172.3
[M+Na-2H]- 323.20779 174.2
[M]+ 302.23257 174.3
[M]- 302.23367 174.3
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