CID 86125949

6-iodohexan-3-one

Structural Information

Molecular Formula
C6H11IO
SMILES
CCC(=O)CCCI
InChI
InChI=1S/C6H11IO/c1-2-6(8)4-3-5-7/h2-5H2,1H3
InChIKey
YWVRVIHKJORQSE-UHFFFAOYSA-N
Compound name
6-iodohexan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.98546 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.99274 135.5
[M+Na]+ 248.97468 135.6
[M-H]- 224.97818 129.1
[M+NH4]+ 244.01928 153.0
[M+K]+ 264.94862 141.1
[M+H-H2O]+ 208.98272 127.5
[M+HCOO]- 270.98366 153.4
[M+CH3COO]- 284.99931 181.1
[M+Na-2H]- 246.96013 128.6
[M]+ 225.98491 134.5
[M]- 225.98601 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe