CID 294615

4-[(2-hydroxyethyl)amino]benzonitrile

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1=CC(=CC=C1C#N)NCCO
InChI
InChI=1S/C9H10N2O/c10-7-8-1-3-9(4-2-8)11-5-6-12/h1-4,11-12H,5-6H2
InChIKey
MWBQMSRVSRVKKX-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

162.07932 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 135.6
[M+Na]+ 185.06854 144.7
[M-H]- 161.07204 137.7
[M+NH4]+ 180.11314 153.4
[M+K]+ 201.04248 141.5
[M+H-H2O]+ 145.07658 123.4
[M+HCOO]- 207.07752 156.1
[M+CH3COO]- 221.09317 190.5
[M+Na-2H]- 183.05399 142.2
[M]+ 162.07877 129.6
[M]- 162.07987 129.6
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