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

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

literature stripe

Patent stripe

patents stripe