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]+ 200.00694 135.9
[M+Na]+ 221.98888 149.7
[M-H]- 197.99238 139.6
[M+NH4]+ 217.03348 159.1
[M+K]+ 237.96282 139.3
[M+H-H2O]+ 181.99692 129.4
[M+HCOO]- 243.99786 152.5
[M+CH3COO]- 258.01351 149.9
[M+Na-2H]- 219.97433 144.7
[M]+ 198.99911 157.8
[M]- 199.00021 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.