CID 2009

Acetoxy-methyl acetylcholine chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

302
Patents

218.13924 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14652 146.7
[M+Na]+ 241.12846 152.4
[M-H]- 217.13196 148.6
[M+NH4]+ 236.17306 165.8
[M+K]+ 257.10240 148.8
[M+H-H2O]+ 201.13650 144.6
[M+HCOO]- 263.13744 168.4
[M+CH3COO]- 277.15309 187.0
[M+Na-2H]- 239.11391 152.5
[M]+ 218.13869 150.6
[M]- 218.13979 150.6
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

patents stripe