CID 83875701

Methyl4-amino-1-cyclopropyl-1h-imidazole-5-carboxylate

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]+ 182.09241 141.3
[M+Na]+ 204.07435 152.0
[M-H]- 180.07785 146.4
[M+NH4]+ 199.11895 155.3
[M+K]+ 220.04829 148.4
[M+H-H2O]+ 164.08239 133.9
[M+HCOO]- 226.08333 164.6
[M+CH3COO]- 240.09898 185.4
[M+Na-2H]- 202.05980 144.5
[M]+ 181.08458 144.1
[M]- 181.08568 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.