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]+ 196.108046 145.5
[M+Na]+ 218.089988 155.7
[M-H]- 194.093494 150.4
[M+NH4]+ 213.134593 159.0
[M+K]+ 234.063928 152.0
[M+H-H2O]+ 178.098030 137.9
[M+HCOO]- 240.098971 168.5
[M+CH3COO]- 254.114621 188.2
[M+Na-2H]- 216.075436 148.2
[M]+ 195.10022142 148.7
[M]- 195.10131858 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