CID 56955521

1788990-16-8

Structural Information

Molecular Formula

C₇H₁₃N₃O

SMILES

CN1CC2CNCCN2C1=O

InChI

InChI=1S/C7H13N3O/c1-9-5-6-4-8-2-3-10(6)7(9)11/h6,8H,2-5H2,1H3

InChIKey

FNPLZEGCLDXUNX-UHFFFAOYSA-N

Compound name

2-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 155.10587 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]+	156.113146	135.3
[M+Na]+	178.095088	142.6
[M-H]-	154.098594	133.8
[M+NH4]+	173.139693	154.4
[M+K]+	194.069028	140.1
[M+H-H2O]+	138.103130	128.0
[M+HCOO]-	200.104071	150.2
[M+CH3COO]-	214.119721	173.3
[M+Na-2H]-	176.080536	138.8
[M]+	155.10532142	129.4
[M]-	155.10641858	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe