CID 178201009

4-(3-aminophenyl)-1h-imidazole-5-carbonitrile

Structural Information

Molecular Formula
C10H8N4
SMILES
C1=CC(=CC(=C1)N)C2=C(N=CN2)C#N
InChI
InChI=1S/C10H8N4/c11-5-9-10(14-6-13-9)7-2-1-3-8(12)4-7/h1-4,6H,12H2,(H,13,14)
InChIKey
UIDXBSNQBJNYDI-UHFFFAOYSA-N
Compound name
5-(3-aminophenyl)-1H-imidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07489 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.082166 141.4
[M+Na]+ 207.064108 151.8
[M-H]- 183.067614 142.7
[M+NH4]+ 202.108713 156.9
[M+K]+ 223.038048 146.4
[M+H-H2O]+ 167.072150 126.5
[M+HCOO]- 229.073091 160.1
[M+CH3COO]- 243.088741 152.2
[M+Na-2H]- 205.049556 145.7
[M]+ 184.07434142 132.9
[M]- 184.07543858 132.9
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

No patent data available for this compound.