CID 43384866

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

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

CC1=C(C=CC(=C1)N2CCCCCC2)N

InChI

InChI=1S/C13H20N2/c1-11-10-12(6-7-13(11)14)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9,14H2,1H3

InChIKey

MWEQTUFZBZLFLP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.16264 Da
Monoisotopic Mass: 2.9
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]+	205.16992	148.3
[M+Na]+	227.15186	158.5
[M+NH4]+	222.19646	156.5
[M+K]+	243.12580	152.9
[M-H]-	203.15536	152.6
[M+Na-2H]-	225.13731	155.4
[M]+	204.16209	150.9
[M]-	204.16319	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe