CID 45122511

3-[(1r)-2-amino-1-hydroxyethyl]benzonitrile

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1=CC(=CC(=C1)C(CN)O)C#N
InChI
InChI=1S/C9H10N2O/c10-5-7-2-1-3-8(4-7)9(12)6-11/h1-4,9,12H,6,11H2
InChIKey
ZHNZFASIUKYYDA-UHFFFAOYSA-N
Compound name
3-(2-amino-1-hydroxyethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.07932 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 137.4
[M+Na]+ 185.06854 148.0
[M+NH4]+ 180.11314 141.9
[M+K]+ 201.04248 139.5
[M-H]- 161.07204 132.0
[M+Na-2H]- 183.05399 140.7
[M]+ 162.07877 136.4
[M]- 162.07987 136.4
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

No patent data available for this compound.