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

134
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 128.9
[M+Na]+ 220.96848 144.6
[M-H]- 196.97198 133.0
[M+NH4]+ 216.01308 150.4
[M+K]+ 236.94242 133.7
[M+H-H2O]+ 180.97652 122.1
[M+HCOO]- 242.97746 149.8
[M+CH3COO]- 256.99311 195.0
[M+Na-2H]- 218.95393 134.9
[M]+ 197.97871 142.0
[M]- 197.97981 142.0
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