CID 21194665

3-iodopropan-1-amine hydroiodide

Structural Information

Molecular Formula
C3H8IN
SMILES
C(CN)CI
InChI
InChI=1S/C3H8IN/c4-2-1-3-5/h1-3,5H2
InChIKey
FZSUKGFWZOUEJF-UHFFFAOYSA-N
Compound name
3-iodopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

130
Patents

184.97015 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.97743 127.2
[M+Na]+ 207.95937 127.5
[M-H]- 183.96287 120.7
[M+NH4]+ 203.00397 145.8
[M+K]+ 223.93331 133.1
[M+H-H2O]+ 167.96741 119.3
[M+HCOO]- 229.96835 146.8
[M+CH3COO]- 243.98400 174.5
[M+Na-2H]- 205.94482 121.8
[M]+ 184.96960 123.2
[M]- 184.97070 123.2
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