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]+ 226.992736 135.5
[M+Na]+ 248.974678 135.6
[M-H]- 224.978184 129.1
[M+NH4]+ 244.019283 153.0
[M+K]+ 264.948618 141.1
[M+H-H2O]+ 208.982720 127.5
[M+HCOO]- 270.983661 153.4
[M+CH3COO]- 284.999311 181.1
[M+Na-2H]- 246.960126 128.6
[M]+ 225.98491142 134.5
[M]- 225.98600858 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