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

literature stripe

Patent stripe

patents stripe