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

1
Patents

187.11095 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 142.8
[M+Na]+ 210.10017 151.9
[M-H]- 186.10367 146.3
[M+NH4]+ 205.14477 160.2
[M+K]+ 226.07411 147.0
[M+H-H2O]+ 170.10821 128.7
[M+HCOO]- 232.10915 161.4
[M+CH3COO]- 246.12480 153.8
[M+Na-2H]- 208.08562 145.6
[M]+ 187.11040 133.5
[M]- 187.11150 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