CID 5910

Pilocarpine

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C
InChI
InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
InChIKey
QCHFTSOMWOSFHM-WPRPVWTQSA-N
Compound name
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

8500
References

56197
Patents

208.12119 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 146.1
[M+Na]+ 231.11041 154.8
[M-H]- 207.11391 151.2
[M+NH4]+ 226.15501 164.9
[M+K]+ 247.08435 153.8
[M+H-H2O]+ 191.11845 139.3
[M+HCOO]- 253.11939 167.2
[M+CH3COO]- 267.13504 186.0
[M+Na-2H]- 229.09586 147.2
[M]+ 208.12064 147.8
[M]- 208.12174 147.8
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

No patent data available for this compound.