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

8
Patents

154.07423 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 131.6
[M+Na]+ 177.06345 140.9
[M-H]- 153.06695 132.4
[M+NH4]+ 172.10805 155.9
[M+K]+ 193.03739 138.7
[M+H-H2O]+ 137.07149 126.6
[M+HCOO]- 199.07243 150.6
[M+CH3COO]- 213.08808 171.2
[M+Na-2H]- 175.04890 135.2
[M]+ 154.07368 128.5
[M]- 154.07478 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.