CID 107739

Propionylcarnitine

Structural Information

Molecular Formula
C10H20NO4
SMILES
CCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3/p+1
InChIKey
UFAHZIUFPNSHSL-UHFFFAOYSA-O
Compound name
(3-carboxy-2-propanoyloxypropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

478
References

4740
Patents

218.13924 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.146516 147.1
[M+Na]+ 241.128458 152.2
[M-H]- 217.131964 147.5
[M+NH4]+ 236.173063 165.3
[M+K]+ 257.102398 147.7
[M+H-H2O]+ 201.136500 145.1
[M+HCOO]- 263.137441 167.2
[M+CH3COO]- 277.153091 185.0
[M+Na-2H]- 239.113906 152.3
[M]+ 218.13869142 149.1
[M]- 218.13978858 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe