CID 22562190

1376340-66-7

Structural Information

Molecular Formula

C₆H₁₁N₃O

SMILES

C1CN2C(CN1)CNC2=O

InChI

InChI=1S/C6H11N3O/c10-6-8-4-5-3-7-1-2-9(5)6/h5,7H,1-4H2,(H,8,10)

InChIKey

RTGLANPQFMENLF-UHFFFAOYSA-N

Compound name

2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 141.09021 Da
Monoisotopic Mass: -1.3
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]+	142.097486	131.3
[M+Na]+	164.079428	137.6
[M-H]-	140.082934	128.1
[M+NH4]+	159.124033	149.9
[M+K]+	180.053368	134.6
[M+H-H2O]+	124.087470	124.1
[M+HCOO]-	186.088411	145.1
[M+CH3COO]-	200.104061	142.1
[M+Na-2H]-	162.064876	135.5
[M]+	141.08966142	122.9
[M]-	141.09075858	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe