CID 69018359

98730-78-0

Structural Information

Molecular Formula
C5H6BrN
SMILES
C1CC1(CBr)C#N
InChI
InChI=1S/C5H6BrN/c6-3-5(4-7)1-2-5/h1-3H2
InChIKey
XWUVFNLWVDQBRJ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

158.96835 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.97563 120.8
[M+Na]+ 181.95757 125.3
[M+NH4]+ 177.00217 125.4
[M+K]+ 197.93151 122.5
[M-H]- 157.96107 120.8
[M+Na-2H]- 179.94302 126.0
[M]+ 158.96780 120.8
[M]- 158.96890 120.8
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