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

1
Patents

158.96835 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.975626 110.1
[M+Na]+ 181.957568 122.5
[M-H]- 157.961074 115.7
[M+NH4]+ 177.002173 128.4
[M+K]+ 197.931508 116.1
[M+H-H2O]+ 141.965610 102.0
[M+HCOO]- 203.966551 129.8
[M+CH3COO]- 217.982201 189.9
[M+Na-2H]- 179.943016 120.4
[M]+ 158.96780142 128.1
[M]- 158.96889858 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