CID 18537727

1-iodopropan-2-amine hydroiodide

Structural Information

Molecular Formula
C3H8IN
SMILES
CC(CI)N
InChI
InChI=1S/C3H8IN/c1-3(5)2-4/h3H,2,5H2,1H3
InChIKey
YVURGVICOUYWPS-UHFFFAOYSA-N
Compound name
1-iodopropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

184.97015 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.977426 127.5
[M+Na]+ 207.959368 127.5
[M-H]- 183.962874 121.0
[M+NH4]+ 203.003973 146.0
[M+K]+ 223.933308 133.5
[M+H-H2O]+ 167.967410 119.5
[M+HCOO]- 229.968351 146.1
[M+CH3COO]- 243.984001 175.3
[M+Na-2H]- 205.944816 120.8
[M]+ 184.96960142 122.8
[M]- 184.97069858 122.8
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