CID 16729353

4-amino-1-[(2r)-2,3-dihydroxypropyl]-1,3,5-triazin-2-one

Structural Information

Molecular Formula
C6H10N4O3
SMILES
C1=NC(=NC(=O)N1C[C@H](CO)O)N
InChI
InChI=1S/C6H10N4O3/c7-5-8-3-10(6(13)9-5)1-4(12)2-11/h3-4,11-12H,1-2H2,(H2,7,9,13)/t4-/m1/s1
InChIKey
ICDIYXPDUQTMHO-SCSAIBSYSA-N
Compound name
4-amino-1-[(2R)-2,3-dihydroxypropyl]-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

186.07529 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08257 138.3
[M+Na]+ 209.06451 147.1
[M-H]- 185.06801 135.5
[M+NH4]+ 204.10911 152.3
[M+K]+ 225.03845 144.5
[M+H-H2O]+ 169.07255 130.7
[M+HCOO]- 231.07349 157.1
[M+CH3COO]- 245.08914 178.6
[M+Na-2H]- 207.04996 143.7
[M]+ 186.07474 136.9
[M]- 186.07584 136.9
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.