CID 77991

Rivastigmine

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C
InChI
InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
InChIKey
XSVMFMHYUFZWBK-NSHDSACASA-N
Compound name
[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2049
References

45403
Patents

250.16812 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 161.1
[M+Na]+ 273.15734 165.7
[M-H]- 249.16084 167.2
[M+NH4]+ 268.20194 179.1
[M+K]+ 289.13128 166.9
[M+H-H2O]+ 233.16538 153.5
[M+HCOO]- 295.16632 185.7
[M+CH3COO]- 309.18197 207.9
[M+Na-2H]- 271.14279 162.5
[M]+ 250.16757 165.0
[M]- 250.16867 165.0
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