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

6202
Patents

176.02007 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.027346 133.4
[M+Na]+ 199.009288 142.0
[M-H]- 175.012794 138.8
[M+NH4]+ 194.053893 156.8
[M+K]+ 214.983228 132.2
[M+H-H2O]+ 159.017330 134.2
[M+HCOO]- 221.018271 151.9
[M+CH3COO]- 235.033921 177.5
[M+Na-2H]- 196.994736 140.5
[M]+ 176.01952142 147.1
[M]- 176.02061858 147.1
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