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 151.0
[M+Na]+ 246.12130 157.2
[M-H]- 222.12480 156.2
[M+NH4]+ 241.16590 168.8
[M+K]+ 262.09524 158.3
[M+H-H2O]+ 206.12934 142.9
[M+HCOO]- 268.13028 176.4
[M+CH3COO]- 282.14593 200.6
[M+Na-2H]- 244.10675 155.5
[M]+ 223.13153 155.0
[M]- 223.13263 155.0
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