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

174
Patents

158.96835 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.975626 122.8
[M+Na]+ 181.957568 142.2
[M-H]- 157.961074 130.9
[M+NH4]+ 177.002173 144.0
[M+K]+ 197.931508 129.2
[M+H-H2O]+ 141.965610 119.9
[M+HCOO]- 203.966551 145.1
[M+CH3COO]- 217.982201 190.3
[M+Na-2H]- 179.943016 134.0
[M]+ 158.96780142 138.1
[M]- 158.96889858 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