CID 52052

N,n-dipropyliodoacetamide

Structural Information

Molecular Formula
C8H16INO
SMILES
CCCN(CCC)C(=O)CI
InChI
InChI=1S/C8H16INO/c1-3-5-10(6-4-2)8(11)7-9/h3-7H2,1-2H3
InChIKey
LBIPFOYHSGHVPL-UHFFFAOYSA-N
Compound name
2-iodo-N,N-dipropylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

269.02765 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03493 151.1
[M+Na]+ 292.01687 149.7
[M-H]- 268.02037 145.7
[M+NH4]+ 287.06147 167.3
[M+K]+ 307.99081 155.9
[M+H-H2O]+ 252.02491 141.9
[M+HCOO]- 314.02585 169.7
[M+CH3COO]- 328.04150 193.9
[M+Na-2H]- 290.00232 142.2
[M]+ 269.02710 151.0
[M]- 269.02820 151.0
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