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]+ 193.072006 135.6
[M+Na]+ 215.053948 144.3
[M-H]- 191.057454 134.8
[M+NH4]+ 210.098553 142.2
[M+K]+ 231.027888 144.8
[M+H-H2O]+ 175.061990 116.2
[M+HCOO]- 237.062931 149.0
[M+CH3COO]- 251.078581 192.6
[M+Na-2H]- 213.039396 140.0
[M]+ 192.06418142 135.2
[M]- 192.06527858 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.