CID 6474727

1-[(z)-4-hydroxy-2-butenyl]thymine

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CC1=CN(C(=O)NC1=O)C/C=C\CO
InChI
InChI=1S/C9H12N2O3/c1-7-6-11(4-2-3-5-12)9(14)10-8(7)13/h2-3,6,12H,4-5H2,1H3,(H,10,13,14)/b3-2-
InChIKey
CKZDLDLEPZFJDW-IHWYPQMZSA-N
Compound name
1-[(Z)-4-hydroxybut-2-enyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

196.0848 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 140.2
[M+Na]+ 219.07402 150.4
[M-H]- 195.07752 139.1
[M+NH4]+ 214.11862 156.2
[M+K]+ 235.04796 146.1
[M+H-H2O]+ 179.08206 133.6
[M+HCOO]- 241.08300 160.3
[M+CH3COO]- 255.09865 178.2
[M+Na-2H]- 217.05947 145.2
[M]+ 196.08425 140.7
[M]- 196.08535 140.7
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.