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

115
Patents

197.97926 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.986536 128.9
[M+Na]+ 220.968478 144.6
[M-H]- 196.971984 133.0
[M+NH4]+ 216.013083 150.4
[M+K]+ 236.942418 133.7
[M+H-H2O]+ 180.976520 122.1
[M+HCOO]- 242.977461 149.8
[M+CH3COO]- 256.993111 195.0
[M+Na-2H]- 218.953926 134.9
[M]+ 197.97871142 142.0
[M]- 197.97980858 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