CID 88092897

1040743-30-3

Structural Information

Molecular Formula
C6H8INO
SMILES
C1CC(=O)N(C1)/C=C/I
InChI
InChI=1S/C6H8INO/c7-3-5-8-4-1-2-6(8)9/h3,5H,1-2,4H2/b5-3+
InChIKey
RDZHARZRINKLMR-HWKANZROSA-N
Compound name
1-[(E)-2-iodoethenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.96506 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.97234 131.1
[M+Na]+ 259.95428 132.0
[M-H]- 235.95778 126.3
[M+NH4]+ 254.99888 148.6
[M+K]+ 275.92822 136.3
[M+H-H2O]+ 219.96232 122.0
[M+HCOO]- 281.96326 148.6
[M+CH3COO]- 295.97891 178.5
[M+Na-2H]- 257.93973 123.7
[M]+ 236.96451 126.4
[M]- 236.96561 126.4
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

No patent data available for this compound.