CID 167740170

1-(bromomethyl)-3,3-dimethylcyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C8H12BrN
SMILES
CC1(CC(C1)(CBr)C#N)C
InChI
InChI=1S/C8H12BrN/c1-7(2)3-8(4-7,5-9)6-10/h3-5H2,1-2H3
InChIKey
SBTLBYZEHNILEC-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3,3-dimethylcyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 121.4
[M+Na]+ 224.00452 134.5
[M-H]- 200.00802 127.4
[M+NH4]+ 219.04912 140.4
[M+K]+ 239.97846 126.9
[M+H-H2O]+ 184.01256 114.4
[M+HCOO]- 246.01350 140.4
[M+CH3COO]- 260.02915 197.9
[M+Na-2H]- 221.98997 130.8
[M]+ 201.01475 141.0
[M]- 201.01585 141.0
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.