CID 156961604

5-hydroxydecanedioylcarnitine

Structural Information

Molecular Formula
C17H32NO7
SMILES
C[N+](C)(C)CC(CC(=O)O)OC(=O)CCCC(CCCCC(=O)O)O
InChI
InChI=1S/C17H31NO7/c1-18(2,3)12-14(11-16(22)23)25-17(24)10-6-8-13(19)7-4-5-9-15(20)21/h13-14,19H,4-12H2,1-3H3,(H-,20,21,22,23)/p+1
InChIKey
FKPIGZRWQUALGA-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(9-carboxy-5-hydroxynonanoyl)oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.21786 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.22514 192.2
[M+Na]+ 385.20708 198.9
[M-H]- 361.21058 194.3
[M+NH4]+ 380.25168 197.0
[M+K]+ 401.18102 192.4
[M+H-H2O]+ 345.21512 187.6
[M+HCOO]- 407.21606 197.7
[M+CH3COO]- 421.23171 207.5
[M+Na-2H]- 383.19253 184.2
[M]+ 362.21731 189.6
[M]- 362.21841 189.6
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.