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]+ 148.086926 132.3
[M+Na]+ 170.068868 141.5
[M-H]- 146.072374 133.7
[M+NH4]+ 165.113473 149.6
[M+K]+ 186.042808 139.2
[M+H-H2O]+ 130.076910 119.1
[M+HCOO]- 192.077851 151.5
[M+CH3COO]- 206.093501 190.8
[M+Na-2H]- 168.054316 137.7
[M]+ 147.07910142 125.2
[M]- 147.08019858 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