CID 157837

Levocarnitine-propionate

Structural Information

Molecular Formula
C10H20NO4
SMILES
CCC(=O)O[C@H](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/t8-/m1/s1
InChIKey
UFAHZIUFPNSHSL-MRVPVSSYSA-O
Compound name
[(2R)-3-carboxy-2-propanoyloxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

475
References

4559
Patents

218.13924 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14652 147.1
[M+Na]+ 241.12846 152.2
[M-H]- 217.13196 147.5
[M+NH4]+ 236.17306 165.3
[M+K]+ 257.10240 147.7
[M+H-H2O]+ 201.13650 145.1
[M+HCOO]- 263.13744 167.2
[M+CH3COO]- 277.15309 185.0
[M+Na-2H]- 239.11391 152.3
[M]+ 218.13869 149.1
[M]- 218.13979 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