CID 130576318

1-[(3-bromopyridin-2-yl)methyl]cyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C10H9BrN2
SMILES
C1CC1(CC2=C(C=CC=N2)Br)C#N
InChI
InChI=1S/C10H9BrN2/c11-8-2-1-5-13-9(8)6-10(7-12)3-4-10/h1-2,5H,3-4,6H2
InChIKey
PRZMJQDNPOYKIQ-UHFFFAOYSA-N
Compound name
1-[(3-bromopyridin-2-yl)methyl]cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.9949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.00218 143.0
[M+Na]+ 258.98412 162.3
[M-H]- 234.98762 151.4
[M+NH4]+ 254.02872 160.3
[M+K]+ 274.95806 147.6
[M+H-H2O]+ 218.99216 138.5
[M+HCOO]- 280.99310 164.2
[M+CH3COO]- 295.00875 157.9
[M+Na-2H]- 256.96957 152.8
[M]+ 235.99435 158.2
[M]- 235.99545 158.2
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

No patent data available for this compound.