CID 25278

Pilocarpinium, n-methyl-, iodide

Structural Information

Molecular Formula
C12H19N2O2
SMILES
CCC1C(COC1=O)CC2=C[N+](=CN2C)C
InChI
InChI=1S/C12H19N2O2/c1-4-11-9(7-16-12(11)15)5-10-6-13(2)8-14(10)3/h6,8-9,11H,4-5,7H2,1-3H3/q+1
InChIKey
BGPRFMZHWPZFGZ-UHFFFAOYSA-N
Compound name
4-[(1,3-dimethylimidazol-1-ium-4-yl)methyl]-3-ethyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.14465 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.15193 151.7
[M+Na]+ 246.13387 160.7
[M-H]- 222.13737 157.2
[M+NH4]+ 241.17847 169.9
[M+K]+ 262.10781 154.0
[M+H-H2O]+ 206.14191 147.8
[M+HCOO]- 268.14285 172.1
[M+CH3COO]- 282.15850 183.4
[M+Na-2H]- 244.11932 154.4
[M]+ 223.14410 152.7
[M]- 223.14520 152.7
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.