CID 79299528

(1-bromo-2-methylpropyl)cyclohexane

Structural Information

Molecular Formula
C10H19Br
SMILES
CC(C)C(C1CCCCC1)Br
InChI
InChI=1S/C10H19Br/c1-8(2)10(11)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3
InChIKey
MROSTGLYKMSTLB-UHFFFAOYSA-N
Compound name
(1-bromo-2-methylpropyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06702 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.074296 148.4
[M+Na]+ 241.056238 155.3
[M-H]- 217.059744 153.4
[M+NH4]+ 236.100843 170.1
[M+K]+ 257.030178 145.5
[M+H-H2O]+ 201.064280 148.7
[M+HCOO]- 263.065221 164.0
[M+CH3COO]- 277.080871 187.6
[M+Na-2H]- 239.041686 151.5
[M]+ 218.06647142 161.9
[M]- 218.06756858 161.9
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

No patent data available for this compound.