CID 20373431

4-(bromomethyl)cyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C8H12BrN
SMILES
C1CC(CCC1CBr)C#N
InChI
InChI=1S/C8H12BrN/c9-5-7-1-3-8(6-10)4-2-7/h7-8H,1-5H2
InChIKey
QYQXSDNRTNJKHA-UHFFFAOYSA-N
Compound name
4-(bromomethyl)cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

201.0153 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02258 132.7
[M+Na]+ 224.00452 144.3
[M-H]- 200.00802 137.0
[M+NH4]+ 219.04912 153.3
[M+K]+ 239.97846 133.0
[M+H-H2O]+ 184.01256 126.8
[M+HCOO]- 246.01350 150.3
[M+CH3COO]- 260.02915 194.2
[M+Na-2H]- 221.98997 139.0
[M]+ 201.01475 141.1
[M]- 201.01585 141.1
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

patents stripe