CID 53612882

1224932-55-1

Structural Information

Molecular Formula

C₁₄H₂₃N₃

SMILES

CN(C)CC1CCN(CC1)C2=CC=C(C=C2)N

InChI

InChI=1S/C14H23N3/c1-16(2)11-12-7-9-17(10-8-12)14-5-3-13(15)4-6-14/h3-6,12H,7-11,15H2,1-2H3

InChIKey

RQZFRKKVDQQMAD-UHFFFAOYSA-N

Compound name

4-[4-[(dimethylamino)methyl]piperidin-1-yl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 233.1892 Da
Monoisotopic Mass: 2.1
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]+	234.19648	156.7
[M+Na]+	256.17842	160.6
[M-H]-	232.18192	162.0
[M+NH4]+	251.22302	172.9
[M+K]+	272.15236	158.0
[M+H-H2O]+	216.18646	147.9
[M+HCOO]-	278.18740	177.4
[M+CH3COO]-	292.20305	200.5
[M+Na-2H]-	254.16387	159.4
[M]+	233.18865	151.6
[M]-	233.18975	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe