CID 452064

N-hydroxy-cis-4-(thymin-1-yl)-d-prolinol

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H](N(C2)O)CO
InChI
InChI=1S/C10H15N3O4/c1-6-3-12(10(16)11-9(6)15)7-2-8(5-14)13(17)4-7/h3,7-8,14,17H,2,4-5H2,1H3,(H,11,15,16)/t7-,8-/m1/s1
InChIKey
PQBZHMAGTHLGRT-HTQZYQBOSA-N
Compound name
1-[(3R,5R)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

241.10626 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 152.6
[M+Na]+ 264.09548 162.1
[M-H]- 240.09898 152.4
[M+NH4]+ 259.14008 166.3
[M+K]+ 280.06942 157.8
[M+H-H2O]+ 224.10352 145.2
[M+HCOO]- 286.10446 168.7
[M+CH3COO]- 300.12011 184.6
[M+Na-2H]- 262.08093 153.0
[M]+ 241.10571 150.4
[M]- 241.10681 150.4
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.