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

6
Patents

204.05136 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05864 142.4
[M+Na]+ 227.04058 150.8
[M-H]- 203.04408 147.9
[M+NH4]+ 222.08518 165.0
[M+K]+ 243.01452 140.9
[M+H-H2O]+ 187.04862 143.1
[M+HCOO]- 249.04956 159.3
[M+CH3COO]- 263.06521 185.0
[M+Na-2H]- 225.02603 146.7
[M]+ 204.05081 156.5
[M]- 204.05191 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