CID 10442925

170701-98-1

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

C1CCN(C(C1)CN)CC2=CC=CC=C2

InChI

InChI=1S/C13H20N2/c14-10-13-8-4-5-9-15(13)11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,14H2

InChIKey

DKWRQRNCULDABS-UHFFFAOYSA-N

Compound name

(1-benzylpiperidin-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 204.16264 Da
Monoisotopic Mass: 1.7
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	149.2
[M+Na]+	227.15186	161.2
[M+NH4]+	222.19646	158.4
[M+K]+	243.12580	153.3
[M-H]-	203.15536	154.1
[M+Na-2H]-	225.13731	157.1
[M]+	204.16209	152.2
[M]-	204.16319	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe