CID 135431317

2-amino-5h,6h,7h-cyclopenta[d]pyrimidin-4-ol

Structural Information

Molecular Formula
C7H9N3O
SMILES
C1CC2=C(C1)N=C(NC2=O)N
InChI
InChI=1S/C7H9N3O/c8-7-9-5-3-1-2-4(5)6(11)10-7/h1-3H2,(H3,8,9,10,11)
InChIKey
WJXRMEZIFWONFJ-UHFFFAOYSA-N
Compound name
2-amino-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

151.07455 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 128.3
[M+Na]+ 174.06377 137.9
[M-H]- 150.06727 128.9
[M+NH4]+ 169.10837 148.8
[M+K]+ 190.03771 134.4
[M+H-H2O]+ 134.07181 121.9
[M+HCOO]- 196.07275 149.5
[M+CH3COO]- 210.08840 141.6
[M+Na-2H]- 172.04922 134.7
[M]+ 151.07400 124.7
[M]- 151.07510 124.7
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