CID 33643

1-iodopropane

Structural Information

Molecular Formula
C3H7I
SMILES
CCCI
InChI
InChI=1S/C3H7I/c1-2-3-4/h2-3H2,1H3
InChIKey
PVWOIHVRPOBWPI-UHFFFAOYSA-N
Compound name
1-iodopropane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

38
References

36614
Patents

169.95924 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.96652 118.3
[M+Na]+ 192.94846 119.4
[M-H]- 168.95196 112.3
[M+NH4]+ 187.99306 138.1
[M+K]+ 208.92240 125.6
[M+H-H2O]+ 152.95650 111.0
[M+HCOO]- 214.95744 137.7
[M+CH3COO]- 228.97309 170.9
[M+Na-2H]- 190.93391 114.3
[M]+ 169.95869 116.1
[M]- 169.95979 116.1
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