CID 121209637

2044714-48-7

Structural Information

Molecular Formula
C8H8N4O2
SMILES
C1C(CN1)N2C=C(C(=O)NC2=O)C#N
InChI
InChI=1S/C8H8N4O2/c9-1-5-4-12(6-2-10-3-6)8(14)11-7(5)13/h4,6,10H,2-3H2,(H,11,13,14)
InChIKey
UZGAAFFKBQDSMQ-UHFFFAOYSA-N
Compound name
1-(azetidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.06473 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07201 135.6
[M+Na]+ 215.05395 144.3
[M-H]- 191.05745 134.8
[M+NH4]+ 210.09855 142.2
[M+K]+ 231.02789 144.8
[M+H-H2O]+ 175.06199 116.2
[M+HCOO]- 237.06293 149.0
[M+CH3COO]- 251.07858 192.6
[M+Na-2H]- 213.03940 140.0
[M]+ 192.06418 135.2
[M]- 192.06528 135.2
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.