CID 21865010

956795-05-4

Structural Information

Molecular Formula

C₁₃H₁₅N₃

SMILES

C1CN2C(=NC=C2CC3=CC=CC=C3)CN1

InChI

InChI=1S/C13H15N3/c1-2-4-11(5-3-1)8-12-9-15-13-10-14-6-7-16(12)13/h1-5,9,14H,6-8,10H2

InChIKey

QJBUFQIGRQDVTP-UHFFFAOYSA-N

Compound name

3-benzyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 213.1266 Da
Monoisotopic Mass: 1.1
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]+	214.13388	148.3
[M+Na]+	236.11582	155.3
[M-H]-	212.11932	149.9
[M+NH4]+	231.16042	164.6
[M+K]+	252.08976	150.0
[M+H-H2O]+	196.12386	139.0
[M+HCOO]-	258.12480	165.3
[M+CH3COO]-	272.14045	159.2
[M+Na-2H]-	234.10127	153.8
[M]+	213.12605	143.8
[M]-	213.12715	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe