CID 7326914

767316-84-7

Structural Information

Molecular Formula
C8H11N3O2
SMILES
COC(=O)C1=C(N=C2N1CCC2)N
InChI
InChI=1S/C8H11N3O2/c1-13-8(12)6-7(9)10-5-3-2-4-11(5)6/h2-4,9H2,1H3
InChIKey
ZEZTYLMYXMCWMM-UHFFFAOYSA-N
Compound name
methyl 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

181.08513 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.092406 137.7
[M+Na]+ 204.074348 146.6
[M-H]- 180.077854 139.8
[M+NH4]+ 199.118953 159.3
[M+K]+ 220.048288 145.4
[M+H-H2O]+ 164.082390 131.2
[M+HCOO]- 226.083331 160.0
[M+CH3COO]- 240.098981 181.7
[M+Na-2H]- 202.059796 140.4
[M]+ 181.08458142 137.7
[M]- 181.08567858 137.7
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

patents stripe