CID 156961435

2,2-dimethylpentanedioylcarnitine

Structural Information

Molecular Formula
C14H26NO6
SMILES
CC(C)(CCC(=O)OC(CC(=O)O)C[N+](C)(C)C)C(=O)O
InChI
InChI=1S/C14H25NO6/c1-14(2,13(19)20)7-6-12(18)21-10(8-11(16)17)9-15(3,4)5/h10H,6-9H2,1-5H3,(H-,16,17,19,20)/p+1
InChIKey
SCJXSUPSJHZCBD-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(4-carboxy-4-methylpentanoyl)oxypropyl]-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 166.2
[M+Na]+ 327.16525 169.4
[M-H]- 303.16875 180.0
[M+NH4]+ 322.20985 182.3
[M+K]+ 343.13919 164.7
[M+H-H2O]+ 287.17329 164.3
[M+HCOO]- 349.17423 187.6
[M+CH3COO]- 363.18988 198.5
[M+Na-2H]- 325.15070 169.8
[M]+ 304.17548 176.6
[M]- 304.17658 176.6
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.