CID 23622

4-(azetidin-3-yl)aniline

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

C1C(CN1)C2=CC=C(C=C2)N

InChI

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

InChIKey

WQYSQTBNUZIFNI-UHFFFAOYSA-N

Compound name

4-(azetidin-3-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 148.10005 Da
Monoisotopic Mass: 0.6
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	130.5
[M+Na]+	171.08927	138.0
[M+NH4]+	166.13387	135.4
[M+K]+	187.06321	133.7
[M-H]-	147.09277	131.3
[M+Na-2H]-	169.07472	135.8
[M]+	148.09950	130.5
[M]-	148.10060	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe