CID 21912525

4-(2-aminoethyl)benzonitrile

Structural Information

Molecular Formula
C9H10N2
SMILES
C1=CC(=CC=C1CCN)C#N
InChI
InChI=1S/C9H10N2/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4H,5-6,10H2
InChIKey
XRTGJOLODNFUSG-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

451
Patents

146.0844 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.091676 132.7
[M+Na]+ 169.073618 142.2
[M-H]- 145.077124 135.6
[M+NH4]+ 164.118223 151.6
[M+K]+ 185.047558 139.0
[M+H-H2O]+ 129.081660 120.5
[M+HCOO]- 191.082601 153.8
[M+CH3COO]- 205.098251 190.5
[M+Na-2H]- 167.059066 138.8
[M]+ 146.08385142 126.2
[M]- 146.08494858 126.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe