CID 17860931

2-[(2-hydroxyethyl)amino]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C8H9N3O
SMILES
C1=CC(=C(N=C1)NCCO)C#N
InChI
InChI=1S/C8H9N3O/c9-6-7-2-1-3-10-8(7)11-4-5-12/h1-3,12H,4-5H2,(H,10,11)
InChIKey
WSLQHHGQBZIPEU-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylamino)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

163.07455 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 133.5
[M+Na]+ 186.06377 142.6
[M-H]- 162.06727 134.1
[M+NH4]+ 181.10837 149.9
[M+K]+ 202.03771 139.9
[M+H-H2O]+ 146.07181 120.3
[M+HCOO]- 208.07275 153.1
[M+CH3COO]- 222.08840 190.2
[M+Na-2H]- 184.04922 140.7
[M]+ 163.07400 127.5
[M]- 163.07510 127.5
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