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 110.1
[M+Na]+ 181.95757 122.5
[M-H]- 157.96107 115.7
[M+NH4]+ 177.00217 128.4
[M+K]+ 197.93151 116.1
[M+H-H2O]+ 141.96561 102.0
[M+HCOO]- 203.96655 129.8
[M+CH3COO]- 217.98220 189.9
[M+Na-2H]- 179.94302 120.4
[M]+ 158.96780 128.1
[M]- 158.96890 128.1
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