CID 3067664

Brn 4460535

Structural Information

Molecular Formula

C₁₄H₂₀N₂O

SMILES

CN1CCN(CC1)C2CCOC3=CC=CC=C23

InChI

InChI=1S/C14H20N2O/c1-15-7-9-16(10-8-15)13-6-11-17-14-5-3-2-4-12(13)14/h2-5,13H,6-11H2,1H3

InChIKey

BVBNYNHXIMNVKW-UHFFFAOYSA-N

Compound name

1-(3,4-dihydro-2H-chromen-4-yl)-4-methylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 232.15756 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]+	233.16484	155.6
[M+Na]+	255.14678	169.2
[M+NH4]+	250.19138	165.0
[M+K]+	271.12072	161.5
[M-H]-	231.15028	161.2
[M+Na-2H]-	253.13223	161.8
[M]+	232.15701	159.2
[M]-	232.15811	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe