CID 66469852

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

Structural Information

Molecular Formula
C10H19Br
SMILES
CC(C)C1CCC(CC1)CBr
InChI
InChI=1S/C10H19Br/c1-8(2)10-5-3-9(7-11)4-6-10/h8-10H,3-7H2,1-2H3
InChIKey
SLGIPQIZUHYPMB-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-propan-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06702 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07430 147.1
[M+Na]+ 241.05624 155.1
[M-H]- 217.05974 152.3
[M+NH4]+ 236.10084 169.2
[M+K]+ 257.03018 144.9
[M+H-H2O]+ 201.06428 147.5
[M+HCOO]- 263.06522 163.6
[M+CH3COO]- 277.08087 187.8
[M+Na-2H]- 239.04169 150.7
[M]+ 218.06647 161.5
[M]- 218.06757 161.5
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

No patent data available for this compound.