CID 52050

2-iodo-n,n-dimethylacetamide

Structural Information

Molecular Formula
C4H8INO
SMILES
CN(C)C(=O)CI
InChI
InChI=1S/C4H8INO/c1-6(2)4(7)3-5/h3H2,1-2H3
InChIKey
IKDLEYHOWFZBBC-UHFFFAOYSA-N
Compound name
2-iodo-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

127
Patents

212.96506 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.97234 131.3
[M+Na]+ 235.95428 131.5
[M-H]- 211.95778 126.7
[M+NH4]+ 230.99888 149.6
[M+K]+ 251.92822 138.8
[M+H-H2O]+ 195.96232 123.0
[M+HCOO]- 257.96326 151.2
[M+CH3COO]- 271.97891 182.5
[M+Na-2H]- 233.93973 124.7
[M]+ 212.96451 129.8
[M]- 212.96561 129.8
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

patents stripe