CID 4633873

L-carnitinamide

Structural Information

Molecular Formula
C7H17N2O2
SMILES
C[N+](C)(C)CC(CC(=O)N)O
InChI
InChI=1S/C7H16N2O2/c1-9(2,3)5-6(10)4-7(8)11/h6,10H,4-5H2,1-3H3,(H-,8,11)/p+1
InChIKey
KWIXGIMKELMNGH-UHFFFAOYSA-O
Compound name
(4-amino-2-hydroxy-4-oxobutyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

337
Patents

161.129 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.13628 132.6
[M+Na]+ 184.11822 137.9
[M-H]- 160.12172 132.8
[M+NH4]+ 179.16282 152.5
[M+K]+ 200.09216 132.9
[M+H-H2O]+ 144.12626 130.8
[M+HCOO]- 206.12720 154.2
[M+CH3COO]- 220.14285 177.0
[M+Na-2H]- 182.10367 139.4
[M]+ 161.12845 130.1
[M]- 161.12955 130.1
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

patents stripe