CID 3042127

59084-01-4

Structural Information

Molecular Formula

C₁₃H₁₉N₃

SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=N)N

InChI

InChI=1S/C13H19N3/c14-13(15)16-8-6-12(7-9-16)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H3,14,15)

InChIKey

BYAUYVJQTAFGKV-UHFFFAOYSA-N

Compound name

4-benzylpiperidine-1-carboximidamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 217.1579 Da
Monoisotopic Mass: 1.9
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]+	218.165176	151.2
[M+Na]+	240.147118	154.5
[M-H]-	216.150624	154.9
[M+NH4]+	235.191723	167.0
[M+K]+	256.121058	150.7
[M+H-H2O]+	200.155160	142.8
[M+HCOO]-	262.156101	171.0
[M+CH3COO]-	276.171751	192.3
[M+Na-2H]-	238.132566	154.7
[M]+	217.15735142	142.7
[M]-	217.15844858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe