CID 6479195

.beta.-l-cv-oddu

Structural Information

Molecular Formula
C10H11ClN2O5
SMILES
C1[C@H](O[C@H](O1)CO)N2C=C(C(=O)NC2=O)/C=C/Cl
InChI
InChI=1S/C10H11ClN2O5/c11-2-1-6-3-13(10(16)12-9(6)15)7-5-17-8(4-14)18-7/h1-3,7-8,14H,4-5H2,(H,12,15,16)/b2-1+/t7-,8-/m0/s1
InChIKey
IPJDIPLTDHPFRM-HIQWKFPQSA-N
Compound name
5-[(E)-2-chloroethenyl]-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

274.03564 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04292 156.4
[M+Na]+ 297.02486 166.6
[M-H]- 273.02836 159.6
[M+NH4]+ 292.06946 168.7
[M+K]+ 312.99880 163.2
[M+H-H2O]+ 257.03290 149.8
[M+HCOO]- 319.03384 169.2
[M+CH3COO]- 333.04949 187.8
[M+Na-2H]- 295.01031 159.0
[M]+ 274.03509 158.9
[M]- 274.03619 158.9
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