CID 137636

(bromomethyl)cyclohexane

Structural Information

Molecular Formula
C7H13Br
SMILES
C1CCC(CC1)CBr
InChI
InChI=1S/C7H13Br/c8-6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKey
UUWSLBWDFJMSFP-UHFFFAOYSA-N
Compound name
bromomethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6028
Patents

176.02007 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 131.7
[M+Na]+ 199.00929 134.0
[M+NH4]+ 194.05389 138.1
[M+K]+ 214.98323 133.2
[M-H]- 175.01279 133.0
[M+Na-2H]- 196.99474 135.0
[M]+ 176.01952 131.2
[M]- 176.02062 131.2
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