CID 131549833

2-amino-5-cyclopentylpyridine-3-carbonitrile

Structural Information

Molecular Formula
C11H13N3
SMILES
C1CCC(C1)C2=CC(=C(N=C2)N)C#N
InChI
InChI=1S/C11H13N3/c12-6-9-5-10(7-14-11(9)13)8-3-1-2-4-8/h5,7-8H,1-4H2,(H2,13,14)
InChIKey
VOVHIYMEFLRUCK-UHFFFAOYSA-N
Compound name
2-amino-5-cyclopentylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

187.11095 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.118226 142.8
[M+Na]+ 210.100168 151.9
[M-H]- 186.103674 146.3
[M+NH4]+ 205.144773 160.2
[M+K]+ 226.074108 147.0
[M+H-H2O]+ 170.108210 128.7
[M+HCOO]- 232.109151 161.4
[M+CH3COO]- 246.124801 153.8
[M+Na-2H]- 208.085616 145.6
[M]+ 187.11040142 133.5
[M]- 187.11149858 133.5
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