CID 135538670

120991-13-1

Structural Information

Molecular Formula
C9H11N2O3
SMILES
CC1=C/[N+](=C/C=CCO)/C(=O)NC1=O
InChI
InChI=1S/C9H10N2O3/c1-7-6-11(4-2-3-5-12)9(14)10-8(7)13/h2-4,6,12H,5H2,1H3/p+1/b3-2?,11-4-
InChIKey
WWAUXDSILNSHJY-FABUXZACSA-O
Compound name
(1Z)-1-(4-hydroxybut-2-enylidene)-5-methylpyrimidin-1-ium-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.07697 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08425 142.1
[M+Na]+ 218.06619 150.6
[M-H]- 194.06969 140.8
[M+NH4]+ 213.11079 157.6
[M+K]+ 234.04013 140.7
[M+H-H2O]+ 178.07423 138.6
[M+HCOO]- 240.07517 159.3
[M+CH3COO]- 254.09082 169.7
[M+Na-2H]- 216.05164 147.8
[M]+ 195.07642 137.6
[M]- 195.07752 137.6
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.