CID 3079592

126101-06-2

Structural Information

Molecular Formula
C7H10N2O3
SMILES
C1CC(=O)N2C1NC(=O)C2CO
InChI
InChI=1S/C7H10N2O3/c10-3-4-7(12)8-5-1-2-6(11)9(4)5/h4-5,10H,1-3H2,(H,8,12)
InChIKey
AAHIVNMKDZHIJZ-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

170.06914 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 135.7
[M+Na]+ 193.05836 144.3
[M-H]- 169.06186 135.1
[M+NH4]+ 188.10296 156.8
[M+K]+ 209.03230 141.7
[M+H-H2O]+ 153.06640 130.4
[M+HCOO]- 215.06734 153.2
[M+CH3COO]- 229.08299 172.5
[M+Na-2H]- 191.04381 137.0
[M]+ 170.06859 132.3
[M]- 170.06969 132.3
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