CID 170916867

1-(bromomethyl)-5,5-dimethylbicyclo[2.1.1]hexane

Structural Information

Molecular Formula
C9H15Br
SMILES
CC1(C2CCC1(C2)CBr)C
InChI
InChI=1S/C9H15Br/c1-8(2)7-3-4-9(8,5-7)6-10/h7H,3-6H2,1-2H3
InChIKey
CTGVXWNXGCOVCX-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-5,5-dimethylbicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0357 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.042976 144.2
[M+Na]+ 225.024918 155.8
[M-H]- 201.028424 149.0
[M+NH4]+ 220.069523 171.5
[M+K]+ 240.998858 147.7
[M+H-H2O]+ 185.032960 144.9
[M+HCOO]- 247.033901 160.9
[M+CH3COO]- 261.049551 189.0
[M+Na-2H]- 223.010366 153.2
[M]+ 202.03515142 173.8
[M]- 202.03624858 173.8
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.