CID 20825880

734531-00-1

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

CC1=NC=C2N1CCNC2

InChI

InChI=1S/C7H11N3/c1-6-9-5-7-4-8-2-3-10(6)7/h5,8H,2-4H2,1H3

InChIKey

GMMYNKQIGMWPCQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 137.09529 Da
Monoisotopic Mass: -0.5
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]+	138.10257	129.0
[M+Na]+	160.08451	137.2
[M-H]-	136.08801	127.8
[M+NH4]+	155.12911	148.9
[M+K]+	176.05845	134.4
[M+H-H2O]+	120.09255	121.5
[M+HCOO]-	182.09349	146.5
[M+CH3COO]-	196.10914	141.4
[M+Na-2H]-	158.06996	135.3
[M]+	137.09474	124.9
[M]-	137.09584	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe