CID 45099425

200418-23-1

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

CC1CC2CNCCN2C1=O

InChI

InChI=1S/C8H14N2O/c1-6-4-7-5-9-2-3-10(7)8(6)11/h6-7,9H,2-5H2,1H3

InChIKey

GYPHSWIBRWFRCS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 154.11061 Da
Monoisotopic Mass: -0.2
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]+	155.11789	134.7
[M+Na]+	177.09983	141.5
[M-H]-	153.10333	134.5
[M+NH4]+	172.14443	155.3
[M+K]+	193.07377	138.9
[M+H-H2O]+	137.10787	128.3
[M+HCOO]-	199.10881	150.7
[M+CH3COO]-	213.12446	173.3
[M+Na-2H]-	175.08528	137.9
[M]+	154.11006	128.7
[M]-	154.11116	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe