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

11
Patents

184.97015 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.97743 127.5
[M+Na]+ 207.95937 127.5
[M-H]- 183.96287 121.0
[M+NH4]+ 203.00397 146.0
[M+K]+ 223.93331 133.5
[M+H-H2O]+ 167.96741 119.5
[M+HCOO]- 229.96835 146.1
[M+CH3COO]- 243.98400 175.3
[M+Na-2H]- 205.94482 120.8
[M]+ 184.96960 122.8
[M]- 184.97070 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