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

203
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 122.8
[M+Na]+ 181.95757 142.2
[M-H]- 157.96107 130.9
[M+NH4]+ 177.00217 144.0
[M+K]+ 197.93151 129.2
[M+H-H2O]+ 141.96561 119.9
[M+HCOO]- 203.96655 145.1
[M+CH3COO]- 217.98220 190.3
[M+Na-2H]- 179.94302 134.0
[M]+ 158.96780 138.1
[M]- 158.96890 138.1
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