CID 7131548

75914-62-4

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1CC1N2C(=CC(=O)NC2=O)N
InChI
InChI=1S/C7H9N3O2/c8-5-3-6(11)9-7(12)10(5)4-1-2-4/h3-4H,1-2,8H2,(H,9,11,12)
InChIKey
XXNAZVMHAGMLRX-UHFFFAOYSA-N
Compound name
6-amino-1-cyclopropylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

167.06947 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.076746 137.5
[M+Na]+ 190.058688 149.8
[M-H]- 166.062194 141.7
[M+NH4]+ 185.103293 150.0
[M+K]+ 206.032628 144.3
[M+H-H2O]+ 150.066730 130.4
[M+HCOO]- 212.067671 160.3
[M+CH3COO]- 226.083321 180.4
[M+Na-2H]- 188.044136 143.3
[M]+ 167.06892142 138.0
[M]- 167.07001858 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe