CID 49114

Aminostigmine

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CN(C)CC1=C(C=CC=N1)OC(=O)N(C)C
InChI
InChI=1S/C11H17N3O2/c1-13(2)8-9-10(6-5-7-12-9)16-11(15)14(3)4/h5-7H,8H2,1-4H3
InChIKey
WXYQYMVOZOPOKF-UHFFFAOYSA-N
Compound name
[2-[(dimethylamino)methyl]pyridin-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

193
Patents

223.13208 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 150.6
[M+Na]+ 246.12130 160.9
[M+NH4]+ 241.16590 157.5
[M+K]+ 262.09524 156.4
[M-H]- 222.12480 152.7
[M+Na-2H]- 244.10675 156.6
[M]+ 223.13153 152.4
[M]- 223.13263 152.4
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