CID 15396583

4-bromo-1,5-dimethyl-1h-pyrrole-2-carbonitrile

Structural Information

Molecular Formula
C7H7BrN2
SMILES
CC1=C(C=C(N1C)C#N)Br
InChI
InChI=1S/C7H7BrN2/c1-5-7(8)3-6(4-9)10(5)2/h3H,1-2H3
InChIKey
ALJTYVWCWBUADZ-UHFFFAOYSA-N
Compound name
4-bromo-1,5-dimethylpyrrole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

197.97926 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.98654 136.9
[M+Na]+ 220.96848 140.7
[M+NH4]+ 216.01308 139.2
[M+K]+ 236.94242 138.8
[M-H]- 196.97198 130.8
[M+Na-2H]- 218.95393 137.6
[M]+ 197.97871 133.9
[M]- 197.97981 133.9
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