CID 138039515

2241138-43-0

Structural Information

Molecular Formula

C₈H₁₅N₃O

SMILES

CN1CCN2C(C1)CC(C2=O)N

InChI

InChI=1S/C8H15N3O/c1-10-2-3-11-6(5-10)4-7(9)8(11)12/h6-7H,2-5,9H2,1H3

InChIKey

KPWBRZSYCLWNRI-UHFFFAOYSA-N

Compound name

7-amino-2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.1215 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]+	170.128776	137.8
[M+Na]+	192.110718	145.1
[M-H]-	168.114224	138.8
[M+NH4]+	187.155323	158.2
[M+K]+	208.084658	142.9
[M+H-H2O]+	152.118760	131.1
[M+HCOO]-	214.119701	155.7
[M+CH3COO]-	228.135351	181.3
[M+Na-2H]-	190.096166	140.3
[M]+	169.12095142	132.3
[M]-	169.12204858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.