CID 6450954

Methyl (e)-3-thymin-1-yl-propenoate

Structural Information

Molecular Formula
C9H10N2O4
SMILES
CC1=CN(C(=O)NC1=O)/C=C/C(=O)OC
InChI
InChI=1S/C9H10N2O4/c1-6-5-11(4-3-7(12)15-2)9(14)10-8(6)13/h3-5H,1-2H3,(H,10,13,14)/b4-3+
InChIKey
XUPFDRQMAIGDAI-ONEGZZNKSA-N
Compound name
methyl (E)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.06406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 140.4
[M+Na]+ 233.05328 151.0
[M-H]- 209.05678 141.0
[M+NH4]+ 228.09788 156.4
[M+K]+ 249.02722 148.1
[M+H-H2O]+ 193.06132 133.7
[M+HCOO]- 255.06226 161.5
[M+CH3COO]- 269.07791 182.2
[M+Na-2H]- 231.03873 144.9
[M]+ 210.06351 142.8
[M]- 210.06461 142.8
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.