CID 17948935

4-(iodomethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C5H8INO
SMILES
C1C(CNC1=O)CI
InChI
InChI=1S/C5H8INO/c6-2-4-1-5(8)7-3-4/h4H,1-3H2,(H,7,8)
InChIKey
DOFCYFZAIZKPIY-UHFFFAOYSA-N
Compound name
4-(iodomethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

224.96506 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.97234 129.7
[M+Na]+ 247.95428 130.2
[M-H]- 223.95778 123.7
[M+NH4]+ 242.99888 146.9
[M+K]+ 263.92822 134.5
[M+H-H2O]+ 207.96232 120.9
[M+HCOO]- 269.96326 145.9
[M+CH3COO]- 283.97891 174.6
[M+Na-2H]- 245.93973 122.2
[M]+ 224.96451 123.6
[M]- 224.96561 123.6
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