CID 165879846

4-(bromomethyl)bicyclo[2.1.1]hexane-2-carbonitrile

Structural Information

Molecular Formula
C8H10BrN
SMILES
C1C2CC1(CC2C#N)CBr
InChI
InChI=1S/C8H10BrN/c9-5-8-1-6(2-8)7(3-8)4-10/h6-7H,1-3,5H2
InChIKey
WLOIMNDYBXKENL-UHFFFAOYSA-N
Compound name
4-(bromomethyl)bicyclo[2.1.1]hexane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.99966 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.006936 135.9
[M+Na]+ 221.988878 149.7
[M-H]- 197.992384 139.6
[M+NH4]+ 217.033483 159.1
[M+K]+ 237.962818 139.3
[M+H-H2O]+ 181.996920 129.4
[M+HCOO]- 243.997861 152.5
[M+CH3COO]- 258.013511 149.9
[M+Na-2H]- 219.974326 144.7
[M]+ 198.99911142 157.8
[M]- 199.00020858 157.8
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.