CID 10877752

3-iodo-2-methylprop-1-ene

Structural Information

Molecular Formula
C4H7I
SMILES
CC(=C)CI
InChI
InChI=1S/C4H7I/c1-4(2)3-5/h1,3H2,2H3
InChIKey
HVSJHYFLAANPJS-UHFFFAOYSA-N
Compound name
3-iodo-2-methylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

655
Patents

181.95924 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.96652 121.0
[M+Na]+ 204.94846 121.9
[M-H]- 180.95196 115.1
[M+NH4]+ 199.99306 140.3
[M+K]+ 220.92240 127.6
[M+H-H2O]+ 164.95650 113.7
[M+HCOO]- 226.95744 139.4
[M+CH3COO]- 240.97309 173.6
[M+Na-2H]- 202.93391 115.4
[M]+ 181.95869 117.9
[M]- 181.95979 117.9
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