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

6
Patents

240.00111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.008386 137.3
[M+Na]+ 262.990328 135.6
[M-H]- 238.993834 131.9
[M+NH4]+ 258.034933 153.4
[M+K]+ 278.964268 140.1
[M+H-H2O]+ 222.998370 128.7
[M+HCOO]- 284.999311 151.6
[M+CH3COO]- 299.014961 178.9
[M+Na-2H]- 260.975776 129.7
[M]+ 240.00056142 129.9
[M]- 240.00165858 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