CID 23440080

2-iodo-n-propylacetamide

Structural Information

Molecular Formula
C5H10INO
SMILES
CCCNC(=O)CI
InChI
InChI=1S/C5H10INO/c1-2-3-7-5(8)4-6/h2-4H2,1H3,(H,7,8)
InChIKey
IVHSPYUBGJJBNT-UHFFFAOYSA-N
Compound name
2-iodo-N-propylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

226.98071 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.987986 138.1
[M+Na]+ 249.969928 137.7
[M-H]- 225.973434 131.8
[M+NH4]+ 245.014533 155.3
[M+K]+ 265.943868 143.4
[M+H-H2O]+ 209.977970 129.7
[M+HCOO]- 271.978911 157.2
[M+CH3COO]- 285.994561 182.0
[M+Na-2H]- 247.955376 131.4
[M]+ 226.98016142 135.7
[M]- 226.98125858 135.7
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