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

422
Patents

146.0844 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 132.7
[M+Na]+ 169.07362 142.2
[M-H]- 145.07712 135.6
[M+NH4]+ 164.11822 151.6
[M+K]+ 185.04756 139.0
[M+H-H2O]+ 129.08166 120.5
[M+HCOO]- 191.08260 153.8
[M+CH3COO]- 205.09825 190.5
[M+Na-2H]- 167.05907 138.8
[M]+ 146.08385 126.2
[M]- 146.08495 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