CID 11074645

6-iodo-2-hexene

Structural Information

Molecular Formula
C6H11I
SMILES
C/C=C/CCCI
InChI
InChI=1S/C6H11I/c1-2-3-4-5-6-7/h2-3H,4-6H2,1H3/b3-2+
InChIKey
WWRXMKQRGARTAB-NSCUHMNNSA-N
Compound name
(E)-6-iodohex-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

209.99055 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.99783 131.0
[M+Na]+ 232.97977 131.4
[M-H]- 208.98327 124.6
[M+NH4]+ 228.02437 149.3
[M+K]+ 248.95371 136.2
[M+H-H2O]+ 192.98781 123.3
[M+HCOO]- 254.98875 149.7
[M+CH3COO]- 269.00440 178.0
[M+Na-2H]- 230.96522 125.5
[M]+ 209.99000 129.2
[M]- 209.99110 129.2
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