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

9
Patents

163.07455 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 133.5
[M+Na]+ 186.063768 142.6
[M-H]- 162.067274 134.1
[M+NH4]+ 181.108373 149.9
[M+K]+ 202.037708 139.9
[M+H-H2O]+ 146.071810 120.3
[M+HCOO]- 208.072751 153.1
[M+CH3COO]- 222.088401 190.2
[M+Na-2H]- 184.049216 140.7
[M]+ 163.07400142 127.5
[M]- 163.07509858 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