CID 19715

(4-(2-oxo-1-pyrrolidinyl)-2-butynyl)trimethylammonium iodide

Structural Information

Molecular Formula
C11H19N2O
SMILES
C[N+](C)(C)CCC#CN1CCCC1=O
InChI
InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h5-7,9-10H2,1-3H3/q+1
InChIKey
NLGGUPZMZIALJO-UHFFFAOYSA-N
Compound name
trimethyl-[4-(2-oxopyrrolidin-1-yl)but-3-ynyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.14973 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.15701 146.6
[M+Na]+ 218.13895 154.8
[M-H]- 194.14245 148.3
[M+NH4]+ 213.18355 164.6
[M+K]+ 234.11289 147.2
[M+H-H2O]+ 178.14699 136.6
[M+HCOO]- 240.14793 162.3
[M+CH3COO]- 254.16358 189.3
[M+Na-2H]- 216.12440 151.6
[M]+ 195.14918 139.4
[M]- 195.15028 139.4
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.