CID 55263345

2-[(1r)-1-aminoethyl]pyridine-4-carbonitrile hydrochloride

Structural Information

Molecular Formula
C8H9N3
SMILES
C[C@H](C1=NC=CC(=C1)C#N)N
InChI
InChI=1S/C8H9N3/c1-6(10)8-4-7(5-9)2-3-11-8/h2-4,6H,10H2,1H3/t6-/m1/s1
InChIKey
XMFZFNMSHBTSHV-ZCFIWIBFSA-N
Compound name
2-[(1R)-1-aminoethyl]pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

147.07965 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08693 132.3
[M+Na]+ 170.06887 141.5
[M-H]- 146.07237 133.7
[M+NH4]+ 165.11347 149.6
[M+K]+ 186.04281 139.2
[M+H-H2O]+ 130.07691 119.1
[M+HCOO]- 192.07785 151.5
[M+CH3COO]- 206.09350 190.8
[M+Na-2H]- 168.05432 137.7
[M]+ 147.07910 125.2
[M]- 147.08020 125.2
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