CID 10559

2-iodobutane

Structural Information

Molecular Formula
C4H9I
SMILES
CCC(C)I
InChI
InChI=1S/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3
InChIKey
IQRUSQUYPCHEKN-UHFFFAOYSA-N
Compound name
2-iodobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

2027
Patents

183.9749 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.98218 119.9
[M+Na]+ 206.96412 123.8
[M+NH4]+ 202.00872 124.9
[M+K]+ 222.93806 121.5
[M-H]- 182.96762 114.2
[M+Na-2H]- 204.94957 112.7
[M]+ 183.97435 117.7
[M]- 183.97545 117.7
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