CID 17867548

3-(2-aminoacetyl)benzonitrile hydrochloride

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CC(=CC(=C1)C(=O)CN)C#N
InChI
InChI=1S/C9H8N2O/c10-5-7-2-1-3-8(4-7)9(12)6-11/h1-4H,6,11H2
InChIKey
PFKOITFKUQJAEZ-UHFFFAOYSA-N
Compound name
3-(2-aminoacetyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

160.06366 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 136.8
[M+Na]+ 183.05288 147.9
[M+NH4]+ 178.09748 141.4
[M+K]+ 199.02682 139.0
[M-H]- 159.05638 131.6
[M+Na-2H]- 181.03833 140.5
[M]+ 160.06311 135.9
[M]- 160.06421 135.9
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