CID 57953828

1195782-03-6

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CCOC(=O)C1=C(N=CN1C2CC2)N
InChI
InChI=1S/C9H13N3O2/c1-2-14-9(13)7-8(10)11-5-12(7)6-3-4-6/h5-6H,2-4,10H2,1H3
InChIKey
GYPPHDNSNKQBCH-UHFFFAOYSA-N
Compound name
ethyl 5-amino-3-cyclopropylimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

195.10077 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 145.5
[M+Na]+ 218.08999 155.7
[M-H]- 194.09349 150.4
[M+NH4]+ 213.13459 159.0
[M+K]+ 234.06393 152.0
[M+H-H2O]+ 178.09803 137.9
[M+HCOO]- 240.09897 168.5
[M+CH3COO]- 254.11462 188.2
[M+Na-2H]- 216.07544 148.2
[M]+ 195.10022 148.7
[M]- 195.10132 148.7
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