CID 11447803

Rac-(1r,2r)-1-iodo-2-methoxycyclohexane

Structural Information

Molecular Formula
C7H13IO
SMILES
CO[C@@H]1CCCC[C@H]1I
InChI
InChI=1S/C7H13IO/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKey
AWPSFXGKLLMWED-RNFRBKRXSA-N
Compound name
(1R,2R)-1-iodo-2-methoxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

240.00111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.00839 135.5
[M+Na]+ 262.99033 134.3
[M-H]- 238.99383 131.5
[M+NH4]+ 258.03493 152.3
[M+K]+ 278.96427 139.6
[M+H-H2O]+ 222.99837 126.7
[M+HCOO]- 284.99931 151.3
[M+CH3COO]- 299.01496 181.5
[M+Na-2H]- 260.97578 128.6
[M]+ 240.00056 129.9
[M]- 240.00166 129.9
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