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]+ 242.113536 152.6
[M+Na]+ 264.095478 162.1
[M-H]- 240.098984 152.4
[M+NH4]+ 259.140083 166.3
[M+K]+ 280.069418 157.8
[M+H-H2O]+ 224.103520 145.2
[M+HCOO]- 286.104461 168.7
[M+CH3COO]- 300.120111 184.6
[M+Na-2H]- 262.080926 153.0
[M]+ 241.10571142 150.4
[M]- 241.10680858 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.