CID 7326914

Methyl 2-amino-5h,6h,7h-pyrrolo[1,2-a]imidazole-3-carboxylate

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

2
Patents

181.08513 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 137.7
[M+Na]+ 204.07435 146.6
[M-H]- 180.07785 139.8
[M+NH4]+ 199.11895 159.3
[M+K]+ 220.04829 145.4
[M+H-H2O]+ 164.08239 131.2
[M+HCOO]- 226.08333 160.0
[M+CH3COO]- 240.09898 181.7
[M+Na-2H]- 202.05980 140.4
[M]+ 181.08458 137.7
[M]- 181.08568 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