CID 22727

1-bromo-4-methylcyclohexane

Structural Information

Molecular Formula
C7H13Br
SMILES
CC1CCC(CC1)Br
InChI
InChI=1S/C7H13Br/c1-6-2-4-7(8)5-3-6/h6-7H,2-5H2,1H3
InChIKey
RLOHLPHAOHGRNM-UHFFFAOYSA-N
Compound name
1-bromo-4-methylcyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

145
Patents

176.02007 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 130.9
[M+Na]+ 199.00929 133.5
[M+NH4]+ 194.05389 137.3
[M+K]+ 214.98323 132.9
[M-H]- 175.01279 132.3
[M+Na-2H]- 196.99474 134.1
[M]+ 176.01952 130.4
[M]- 176.02062 130.4
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