CID 6362

2-iodopropane

Structural Information

Molecular Formula
C3H7I
SMILES
CC(C)I
InChI
InChI=1S/C3H7I/c1-3(2)4/h3H,1-2H3
InChIKey
FMKOJHQHASLBPH-UHFFFAOYSA-N
Compound name
2-iodopropane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

19
References

34985
Patents

169.95924 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.96652 118.1
[M+Na]+ 192.94846 119.1
[M-H]- 168.95196 112.3
[M+NH4]+ 187.99306 137.9
[M+K]+ 208.92240 125.6
[M+H-H2O]+ 152.95650 110.9
[M+HCOO]- 214.95744 136.6
[M+CH3COO]- 228.97309 171.7
[M+Na-2H]- 190.93391 113.0
[M]+ 169.95869 115.3
[M]- 169.95979 115.3
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