CID 156963033

2-ethylpentanedioylcarnitine

Structural Information

Molecular Formula
C14H26NO6
SMILES
CCC(CCC(=O)OC(CC(=O)O)C[N+](C)(C)C)C(=O)O
InChI
InChI=1S/C14H25NO6/c1-5-10(14(19)20)6-7-13(18)21-11(8-12(16)17)9-15(2,3)4/h10-11H,5-9H2,1-4H3,(H-,16,17,19,20)/p+1
InChIKey
WUDIYCFSLSSOAB-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(4-carboxyhexanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.17603 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18331 168.7
[M+Na]+ 327.16525 171.2
[M-H]- 303.16875 167.0
[M+NH4]+ 322.20985 186.2
[M+K]+ 343.13919 166.5
[M+H-H2O]+ 287.17329 166.1
[M+HCOO]- 349.17423 188.2
[M+CH3COO]- 363.18988 199.0
[M+Na-2H]- 325.15070 169.5
[M]+ 304.17548 171.1
[M]- 304.17658 171.1
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.