CID 10419324

3-(4-aminophenyl)propanenitrile

Structural Information

Molecular Formula
C9H10N2
SMILES
C1=CC(=CC=C1CCC#N)N
InChI
InChI=1S/C9H10N2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6H,1-2,11H2
InChIKey
UNJNPBSWRQIBGH-UHFFFAOYSA-N
Compound name
3-(4-aminophenyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

146.0844 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

patents stripe