CID 344883

2-iodopropanamide

Structural Information

Molecular Formula
C3H6INO
SMILES
CC(C(=O)N)I
InChI
InChI=1S/C3H6INO/c1-2(4)3(5)6/h2H,1H3,(H2,5,6)
InChIKey
QKSBEDINHRIOJR-UHFFFAOYSA-N
Compound name
2-iodopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

159
Patents

198.94942 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.95670 129.8
[M+Na]+ 221.93864 129.9
[M-H]- 197.94214 123.5
[M+NH4]+ 216.98324 147.6
[M+K]+ 237.91258 136.1
[M+H-H2O]+ 181.94668 121.8
[M+HCOO]- 243.94762 147.9
[M+CH3COO]- 257.96327 177.1
[M+Na-2H]- 219.92409 121.9
[M]+ 198.94887 125.2
[M]- 198.94997 125.2
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