CID 19707591

1,3-diazetidine-2,4-dione

Structural Information

Molecular Formula
C2H2N2O2
SMILES
C1(=O)NC(=O)N1
InChI
InChI=1S/C2H2N2O2/c5-1-3-2(6)4-1/h(H2,3,4,5,6)
InChIKey
PCHXZXKMYCGVFA-UHFFFAOYSA-N
Compound name
1,3-diazetidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27348
Patents

86.01163 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.018906 111.9
[M+Na]+ 109.000848 119.6
[M-H]- 85.004354 110.5
[M+NH4]+ 104.045453 125.1
[M+K]+ 124.974788 121.1
[M+H-H2O]+ 69.008890 101.4
[M+HCOO]- 131.009831 130.5
[M+CH3COO]- 145.025481 160.6
[M+Na-2H]- 106.986296 118.8
[M]+ 86.01108142 116.5
[M]- 86.01217858 116.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe