CID 6477371

Nsc650987

Structural Information

Molecular Formula
C11H16N2O4
SMILES
C1[C@@H]([C@H](CC1N2C=CC(=O)NC2=O)CO)CO
InChI
InChI=1S/C11H16N2O4/c14-5-7-3-9(4-8(7)6-15)13-2-1-10(16)12-11(13)17/h1-2,7-9,14-15H,3-6H2,(H,12,16,17)/t7-,8-/m1/s1
InChIKey
YKKMQUKXFNLQRX-HTQZYQBOSA-N
Compound name
1-[(3S,4S)-3,4-bis(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.11101 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.118286 151.8
[M+Na]+ 263.100228 160.0
[M-H]- 239.103734 152.4
[M+NH4]+ 258.144833 166.7
[M+K]+ 279.074168 155.6
[M+H-H2O]+ 223.108270 144.7
[M+HCOO]- 285.109211 169.0
[M+CH3COO]- 299.124861 183.3
[M+Na-2H]- 261.085676 152.7
[M]+ 240.11046142 149.1
[M]- 240.11155858 149.1
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

patents stripe