CID 18077

Valerylcholine iodide

Structural Information

Molecular Formula
C10H22NO2
SMILES
CCCCC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C10H22NO2/c1-5-6-7-10(12)13-9-8-11(2,3)4/h5-9H2,1-4H3/q+1
InChIKey
NDWNNGOMAATBHL-UHFFFAOYSA-N
Compound name
trimethyl(2-pentanoyloxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

33
Patents

188.16505 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.17233 142.9
[M+Na]+ 211.15427 153.8
[M+NH4]+ 206.19887 151.2
[M+K]+ 227.12821 149.2
[M-H]- 187.15777 144.0
[M+Na-2H]- 209.13972 147.1
[M]+ 188.16450 145.0
[M]- 188.16560 145.0
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