CID 89029338

(1r,4r)-4-(iodomethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C7H13IO
SMILES
C1CC(CCC1CI)O
InChI
InChI=1S/C7H13IO/c8-5-6-1-3-7(9)4-2-6/h6-7,9H,1-5H2
InChIKey
CRSUMXHSKKXXFQ-UHFFFAOYSA-N
Compound name
4-(iodomethyl)cyclohexan-1-ol
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 137.3
[M+Na]+ 262.99033 135.6
[M-H]- 238.99383 131.9
[M+NH4]+ 258.03493 153.4
[M+K]+ 278.96427 140.1
[M+H-H2O]+ 222.99837 128.7
[M+HCOO]- 284.99931 151.6
[M+CH3COO]- 299.01496 178.9
[M+Na-2H]- 260.97578 129.7
[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

No literature data available for this compound.

Patent stripe

patents stripe