CID 13244562

4-iodopent-1-ene

Structural Information

Molecular Formula
C5H9I
SMILES
CC(CC=C)I
InChI
InChI=1S/C5H9I/c1-3-4-5(2)6/h3,5H,1,4H2,2H3
InChIKey
NOQPOCHZSMPMTN-UHFFFAOYSA-N
Compound name
4-iodopent-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

195.9749 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.982176 126.0
[M+Na]+ 218.964118 126.4
[M-H]- 194.967624 119.8
[M+NH4]+ 214.008723 144.7
[M+K]+ 234.938058 131.9
[M+H-H2O]+ 178.972160 118.5
[M+HCOO]- 240.973101 144.0
[M+CH3COO]- 254.988751 176.5
[M+Na-2H]- 216.949566 119.8
[M]+ 195.97435142 123.2
[M]- 195.97544858 123.2
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