CID 446637

(4s)-4-hydroxy-3,4-dihydro-2(1h)-pyrimidinone

Structural Information

Molecular Formula
C4H6N2O2
SMILES
C1=CNC(=O)N[C@H]1O
InChI
InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-3,7H,(H2,5,6,8)/t3-/m0/s1
InChIKey
DEAAWXYGBWCVJW-VKHMYHEASA-N
Compound name
(4S)-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

114.04293 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.05021 121.6
[M+Na]+ 137.03215 129.0
[M-H]- 113.03565 118.4
[M+NH4]+ 132.07675 139.4
[M+K]+ 153.00609 126.2
[M+H-H2O]+ 97.040190 115.7
[M+HCOO]- 159.04113 138.3
[M+CH3COO]- 173.05678 158.8
[M+Na-2H]- 135.01760 128.1
[M]+ 114.04238 114.7
[M]- 114.04348 114.7
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