CID 138609246

1-(5-bromopyridin-2-yl)-3-methylidenecyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C11H9BrN2
SMILES
C=C1CC(C1)(C#N)C2=NC=C(C=C2)Br
InChI
InChI=1S/C11H9BrN2/c1-8-4-11(5-8,7-13)10-3-2-9(12)6-14-10/h2-3,6H,1,4-5H2
InChIKey
YLZCKTOTZOLBTM-UHFFFAOYSA-N
Compound name
1-(5-bromopyridin-2-yl)-3-methylidenecyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

247.9949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.00218 132.6
[M+Na]+ 270.98412 145.6
[M-H]- 246.98762 138.7
[M+NH4]+ 266.02872 146.8
[M+K]+ 286.95806 136.9
[M+H-H2O]+ 230.99216 122.3
[M+HCOO]- 292.99310 150.8
[M+CH3COO]- 307.00875 203.8
[M+Na-2H]- 268.96957 140.6
[M]+ 247.99435 150.6
[M]- 247.99545 150.6
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