CID 452031

Cis-4-(thymin-1-yl)-d-prolinol

Structural Information

Molecular Formula
C10H15N3O3
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H](NC2)CO
InChI
InChI=1S/C10H15N3O3/c1-6-4-13(10(16)12-9(6)15)8-2-7(5-14)11-3-8/h4,7-8,11,14H,2-3,5H2,1H3,(H,12,15,16)/t7-,8-/m1/s1
InChIKey
NPLAPYDJFDUZFI-HTQZYQBOSA-N
Compound name
1-[(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

225.11134 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11862 150.0
[M+Na]+ 248.10056 158.9
[M-H]- 224.10406 149.4
[M+NH4]+ 243.14516 164.2
[M+K]+ 264.07450 153.9
[M+H-H2O]+ 208.10860 142.4
[M+HCOO]- 270.10954 166.0
[M+CH3COO]- 284.12519 181.0
[M+Na-2H]- 246.08601 151.0
[M]+ 225.11079 146.0
[M]- 225.11189 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.