CID 512159

Schembl9086947

Structural Information

Molecular Formula
C10H13ClN2O4
SMILES
C1[C@H]([C@@]1(CN2C=C(C(=O)NC2=O)Cl)CO)CO
InChI
InChI=1S/C10H13ClN2O4/c11-7-2-13(9(17)12-8(7)16)4-10(5-15)1-6(10)3-14/h2,6,14-15H,1,3-5H2,(H,12,16,17)/t6-,10-/m0/s1
InChIKey
YQYMJPUCMXZLSB-WKEGUHRASA-N
Compound name
1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-chloropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

260.0564 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06368 154.1
[M+Na]+ 283.04562 166.6
[M-H]- 259.04912 156.0
[M+NH4]+ 278.09022 165.0
[M+K]+ 299.01956 159.9
[M+H-H2O]+ 243.05366 149.0
[M+HCOO]- 305.05460 168.1
[M+CH3COO]- 319.07025 188.9
[M+Na-2H]- 281.03107 158.4
[M]+ 260.05585 159.1
[M]- 260.05695 159.1
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

patents stripe