CID 45088741

4-(azetidin-1-yl)-2-methylaniline

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

CC1=C(C=CC(=C1)N2CCC2)N

InChI

InChI=1S/C10H14N2/c1-8-7-9(3-4-10(8)11)12-5-2-6-12/h3-4,7H,2,5-6,11H2,1H3

InChIKey

MOSQPXDQOSPHTN-UHFFFAOYSA-N

Compound name

4-(azetidin-1-yl)-2-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 162.11569 Da
Monoisotopic Mass: 1.5
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]+	163.12297	134.3
[M+Na]+	185.10491	142.6
[M+NH4]+	180.14951	139.5
[M+K]+	201.07885	138.0
[M-H]-	161.10841	135.7
[M+Na-2H]-	183.09036	139.8
[M]+	162.11514	134.7
[M]-	162.11624	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe