CID 453157

132198-20-0

Structural Information

Molecular Formula
C10H13N3O3
SMILES
C1C=C[C@H](O[C@H]1N2C=CC(=NC2=O)N)CO
InChI
InChI=1S/C10H13N3O3/c11-8-4-5-13(10(15)12-8)9-3-1-2-7(6-14)16-9/h1-2,4-5,7,9,14H,3,6H2,(H2,11,12,15)/t7-,9+/m0/s1
InChIKey
XCGYEIVKJJFVIP-IONNQARKSA-N
Compound name
4-amino-1-[(2R,6S)-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.09569 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 148.8
[M+Na]+ 246.08491 156.9
[M-H]- 222.08841 152.1
[M+NH4]+ 241.12951 161.9
[M+K]+ 262.05885 154.6
[M+H-H2O]+ 206.09295 140.3
[M+HCOO]- 268.09389 167.8
[M+CH3COO]- 282.10954 187.1
[M+Na-2H]- 244.07036 154.4
[M]+ 223.09514 146.5
[M]- 223.09624 146.5
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

No patent data available for this compound.