CID 2766873

2-amino-4-phenyl-1h-pyrrole-3-carbonitrile

Structural Information

Molecular Formula
C11H9N3
SMILES
C1=CC=C(C=C1)C2=CNC(=C2C#N)N
InChI
InChI=1S/C11H9N3/c12-6-9-10(7-14-11(9)13)8-4-2-1-3-5-8/h1-5,7,14H,13H2
InChIKey
XYEJDFIDVKWWTR-UHFFFAOYSA-N
Compound name
2-amino-4-phenyl-1H-pyrrole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

183.07965 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.08693 143.5
[M+Na]+ 206.06887 154.0
[M-H]- 182.07237 146.3
[M+NH4]+ 201.11347 160.5
[M+K]+ 222.04281 148.1
[M+H-H2O]+ 166.07691 129.6
[M+HCOO]- 228.07785 163.3
[M+CH3COO]- 242.09350 154.7
[M+Na-2H]- 204.05432 147.4
[M]+ 183.07910 135.0
[M]- 183.08020 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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