CID 12301304

1132-58-7

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

C1CCC(=NNC2=CC=CC=C2)C1

InChI

InChI=1S/C11H14N2/c1-2-6-10(7-3-1)12-13-11-8-4-5-9-11/h1-3,6-7,12H,4-5,8-9H2

InChIKey

UDBKZBQYLKJMNN-UHFFFAOYSA-N

Compound name

N-(cyclopentylideneamino)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 174.11569 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	175.12297	136.5
[M+Na]+	197.10491	141.3
[M-H]-	173.10841	143.9
[M+NH4]+	192.14951	158.0
[M+K]+	213.07885	138.9
[M+H-H2O]+	157.11295	129.1
[M+HCOO]-	219.11389	163.6
[M+CH3COO]-	233.12954	184.4
[M+Na-2H]-	195.09036	143.0
[M]+	174.11514	132.1
[M]-	174.11624	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe