CID 6450963

(3,4,5-oh pentenyl)t

Structural Information

Molecular Formula
C10H14N2O5
SMILES
CC1=CN(C(=O)NC1=O)/C=C/[C@@H]([C@@H](CO)O)O
InChI
InChI=1S/C10H14N2O5/c1-6-4-12(10(17)11-9(6)16)3-2-7(14)8(15)5-13/h2-4,7-8,13-15H,5H2,1H3,(H,11,16,17)/b3-2+/t7-,8+/m0/s1
InChIKey
UVYVDIMWTLSDFQ-RIAPOHOLSA-N
Compound name
5-methyl-1-[(E,3S,4R)-3,4,5-trihydroxypent-1-enyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.09027 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09755 151.4
[M+Na]+ 265.07949 159.4
[M-H]- 241.08299 147.6
[M+NH4]+ 260.12409 163.7
[M+K]+ 281.05343 155.5
[M+H-H2O]+ 225.08753 144.9
[M+HCOO]- 287.08847 166.6
[M+CH3COO]- 301.10412 183.0
[M+Na-2H]- 263.06494 152.6
[M]+ 242.08972 150.1
[M]- 242.09082 150.1
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

No patent data available for this compound.