CID 10262076

4-iodo-2-methylbut-1-ene

Structural Information

Molecular Formula
C5H9I
SMILES
CC(=C)CCI
InChI
InChI=1S/C5H9I/c1-5(2)3-4-6/h1,3-4H2,2H3
InChIKey
WOMUECWVNKNZEP-UHFFFAOYSA-N
Compound name
4-iodo-2-methylbut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

195.9749 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.98218 123.8
[M+Na]+ 218.96412 127.6
[M+NH4]+ 214.00872 128.4
[M+K]+ 234.93806 124.9
[M-H]- 194.96762 117.9
[M+Na-2H]- 216.94957 116.2
[M]+ 195.97435 121.5
[M]- 195.97545 121.5
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