CID 141398157

2416236-45-6

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

C1CC2C(=NCC(=O)N2C1)N

InChI

InChI=1S/C7H11N3O/c8-7-5-2-1-3-10(5)6(11)4-9-7/h5H,1-4H2,(H2,8,9)

InChIKey

BRXARUGTCROZDQ-UHFFFAOYSA-N

Compound name

1-amino-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.09021 Da
Monoisotopic Mass: -0.9
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]+	154.097486	131.0
[M+Na]+	176.079428	138.8
[M-H]-	152.082934	132.2
[M+NH4]+	171.124033	151.8
[M+K]+	192.053368	136.7
[M+H-H2O]+	136.087470	124.1
[M+HCOO]-	198.088411	150.7
[M+CH3COO]-	212.104061	176.7
[M+Na-2H]-	174.064876	135.8
[M]+	153.08966142	126.2
[M]-	153.09075858	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.