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

97
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 129.8
[M+Na]+ 235.95428 132.2
[M+NH4]+ 230.99888 133.6
[M+K]+ 251.92822 130.9
[M-H]- 211.95778 123.8
[M+Na-2H]- 233.93973 121.5
[M]+ 212.96451 127.1
[M]- 212.96561 127.1
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