CID 165979735

1-(2-bromoethyl)cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C7H10BrN
SMILES
C1CC(C1)(CCBr)C#N
InChI
InChI=1S/C7H10BrN/c8-5-4-7(6-9)2-1-3-7/h1-5H2
InChIKey
HBOLRKSKGBJTQM-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.99966 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.00694 118.1
[M+Na]+ 209.98888 129.8
[M-H]- 185.99238 123.4
[M+NH4]+ 205.03348 135.5
[M+K]+ 225.96282 123.0
[M+H-H2O]+ 169.99692 109.6
[M+HCOO]- 231.99786 137.2
[M+CH3COO]- 246.01351 194.8
[M+Na-2H]- 207.97433 127.5
[M]+ 186.99911 136.7
[M]- 187.00021 136.7
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.