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]+ 203.04298 144.2
[M+Na]+ 225.02492 155.8
[M-H]- 201.02842 149.0
[M+NH4]+ 220.06952 171.5
[M+K]+ 240.99886 147.7
[M+H-H2O]+ 185.03296 144.9
[M+HCOO]- 247.03390 160.9
[M+CH3COO]- 261.04955 189.0
[M+Na-2H]- 223.01037 153.2
[M]+ 202.03515 173.8
[M]- 202.03625 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.