CID 5314619

1-(iodomethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C7H13IO
SMILES
C1CCC(CC1)(CI)O
InChI
InChI=1S/C7H13IO/c8-6-7(9)4-2-1-3-5-7/h9H,1-6H2
InChIKey
OKIIOMJZFIPEKS-UHFFFAOYSA-N
Compound name
1-(iodomethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

240.00111 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.00839 137.9
[M+Na]+ 262.99033 136.2
[M-H]- 238.99383 132.6
[M+NH4]+ 258.03493 155.6
[M+K]+ 278.96427 140.9
[M+H-H2O]+ 222.99837 129.9
[M+HCOO]- 284.99931 152.3
[M+CH3COO]- 299.01496 177.5
[M+Na-2H]- 260.97578 132.0
[M]+ 240.00056 130.4
[M]- 240.00166 130.4
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

No patent data available for this compound.