CID 83875701

1556503-41-3

Structural Information

Molecular Formula
C8H11N3O2
SMILES
COC(=O)C1=C(N=CN1C2CC2)N
InChI
InChI=1S/C8H11N3O2/c1-13-8(12)6-7(9)10-4-11(6)5-2-3-5/h4-5H,2-3,9H2,1H3
InChIKey
UTXDWDIRKFRCNT-UHFFFAOYSA-N
Compound name
methyl 5-amino-3-cyclopropylimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.092406 141.3
[M+Na]+ 204.074348 152.0
[M-H]- 180.077854 146.4
[M+NH4]+ 199.118953 155.3
[M+K]+ 220.048288 148.4
[M+H-H2O]+ 164.082390 133.9
[M+HCOO]- 226.083331 164.6
[M+CH3COO]- 240.098981 185.4
[M+Na-2H]- 202.059796 144.5
[M]+ 181.08458142 144.1
[M]- 181.08567858 144.1
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.