CID 57594042

1-bromo-4-(propan-2-yl)cyclohexane

Structural Information

Molecular Formula
C9H17Br
SMILES
CC(C)C1CCC(CC1)Br
InChI
InChI=1S/C9H17Br/c1-7(2)8-3-5-9(10)6-4-8/h7-9H,3-6H2,1-2H3
InChIKey
OIRPJYOKZSGEFN-UHFFFAOYSA-N
Compound name
1-bromo-4-propan-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

204.05136 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058636 142.4
[M+Na]+ 227.040578 150.8
[M-H]- 203.044084 147.9
[M+NH4]+ 222.085183 165.0
[M+K]+ 243.014518 140.9
[M+H-H2O]+ 187.048620 143.1
[M+HCOO]- 249.049561 159.3
[M+CH3COO]- 263.065211 185.0
[M+Na-2H]- 225.026026 146.7
[M]+ 204.05081142 156.5
[M]- 204.05190858 156.5
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

patents stripe