CID 83091711

1-bromocyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C5H6BrN
SMILES
C1CC(C1)(C#N)Br
InChI
InChI=1S/C5H6BrN/c6-5(4-7)2-1-3-5/h1-3H2
InChIKey
QZXIMWRBRVXDOY-UHFFFAOYSA-N
Compound name
1-bromocyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.96835 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.97563 126.5
[M+Na]+ 181.95757 126.2
[M+NH4]+ 177.00217 127.7
[M+K]+ 197.93151 123.6
[M-H]- 157.96107 119.1
[M+Na-2H]- 179.94302 127.3
[M]+ 158.96780 122.0
[M]- 158.96890 122.0
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.