CID 10171243

2243515-69-5

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CC1CNCC(C1N)C

InChI

InChI=1S/C7H16N2/c1-5-3-9-4-6(2)7(5)8/h5-7,9H,3-4,8H2,1-2H3

InChIKey

XJSUUJDMFDMIGK-UHFFFAOYSA-N

Compound name

3,5-dimethylpiperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 128.13135 Da
Monoisotopic Mass: 0.3
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]+	129.13863	130.1
[M+Na]+	151.12057	136.0
[M-H]-	127.12407	130.2
[M+NH4]+	146.16517	150.0
[M+K]+	167.09451	133.8
[M+H-H2O]+	111.12861	124.4
[M+HCOO]-	173.12955	148.5
[M+CH3COO]-	187.14520	172.8
[M+Na-2H]-	149.10602	133.6
[M]+	128.13080	122.6
[M]-	128.13190	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe