CID 5314

Succinylcholine

Structural Information

Molecular Formula
C14H30N2O4
SMILES
C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2
InChIKey
AXOIZCJOOAYSMI-UHFFFAOYSA-N
Compound name
trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

7343
References

14498
Patents

290.22055 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.227826 164.7
[M+Na]+ 313.209768 168.7
[M-H]- 289.213274 201.7
[M+NH4]+ 308.254373 205.5
[M+K]+ 329.183708 159.3
[M+H-H2O]+ 273.217810 164.7
[M+HCOO]- 335.218751 220.4
[M+CH3COO]- 349.234401 199.6
[M+Na-2H]- 311.195216 174.3
[M]+ 290.22000142 169.2
[M]- 290.22109858 169.2
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