CID 67611079

2-(1-aminocyclopropyl)aniline

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

C1CC1(C2=CC=CC=C2N)N

InChI

InChI=1S/C9H12N2/c10-8-4-2-1-3-7(8)9(11)5-6-9/h1-4H,5-6,10-11H2

InChIKey

JYPHCLNBVNXPFR-UHFFFAOYSA-N

Compound name

2-(1-aminocyclopropyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 148.10005 Da
Monoisotopic Mass: 0.4
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]+	149.10733	131.5
[M+Na]+	171.08927	144.6
[M+NH4]+	166.13387	142.8
[M+K]+	187.06321	138.0
[M-H]-	147.09277	143.3
[M+Na-2H]-	169.07472	143.6
[M]+	148.09950	137.9
[M]-	148.10060	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe