CID 3079590

126100-98-9

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CC12CCC(=O)N1CC(=O)N2

InChI

InChI=1S/C7H10N2O2/c1-7-3-2-6(11)9(7)4-5(10)8-7/h2-4H2,1H3,(H,8,10)

InChIKey

BBESFFLDQCUGQM-UHFFFAOYSA-N

Compound name

7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 154.07423 Da
Monoisotopic Mass: -0.7
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]+	155.08151	133.3
[M+Na]+	177.06345	141.8
[M+NH4]+	172.10805	142.0
[M+K]+	193.03739	139.2
[M-H]-	153.06695	131.8
[M+Na-2H]-	175.04890	135.9
[M]+	154.07368	133.7
[M]-	154.07478	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe