CID 767958

1-(4-aminophenyl)cyclopentanecarbonitrile

Structural Information

Molecular Formula
C12H14N2
SMILES
C1CCC(C1)(C#N)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H14N2/c13-9-12(7-1-2-8-12)10-3-5-11(14)6-4-10/h3-6H,1-2,7-8,14H2
InChIKey
GIBAIULVBOBDED-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)cyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

186.11569 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 144.3
[M+Na]+ 209.10491 155.0
[M+NH4]+ 204.14951 151.4
[M+K]+ 225.07885 144.9
[M-H]- 185.10841 141.2
[M+Na-2H]- 207.09036 150.1
[M]+ 186.11514 144.2
[M]- 186.11624 144.2
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