CID 14383062

1-(dibromomethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C7H12Br2O
SMILES
C1CCC(CC1)(C(Br)Br)O
InChI
InChI=1S/C7H12Br2O/c8-6(9)7(10)4-2-1-3-5-7/h6,10H,1-5H2
InChIKey
CVISDRZPEWFBOR-UHFFFAOYSA-N
Compound name
1-(dibromomethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

269.92548 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.93276 141.4
[M+Na]+ 292.91470 149.7
[M-H]- 268.91820 146.5
[M+NH4]+ 287.95930 162.0
[M+K]+ 308.88864 135.0
[M+H-H2O]+ 252.92274 150.8
[M+HCOO]- 314.92368 153.4
[M+CH3COO]- 328.93933 196.1
[M+Na-2H]- 290.90015 147.6
[M]+ 269.92493 171.0
[M]- 269.92603 171.0
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