CID 11137296

Hydantoin, 1-nitro-

Structural Information

Molecular Formula
C3H3N3O4
SMILES
C1C(=O)NC(=O)N1[N+](=O)[O-]
InChI
InChI=1S/C3H3N3O4/c7-2-1-5(6(9)10)3(8)4-2/h1H2,(H,4,7,8)
InChIKey
JLADTIPBYWSGLM-UHFFFAOYSA-N
Compound name
1-nitroimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

145.01236 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.01964 123.1
[M+Na]+ 168.00158 131.5
[M-H]- 144.00508 123.4
[M+NH4]+ 163.04618 142.0
[M+K]+ 183.97552 126.6
[M+H-H2O]+ 128.00962 121.8
[M+HCOO]- 190.01056 145.3
[M+CH3COO]- 204.02621 162.2
[M+Na-2H]- 165.98703 130.1
[M]+ 145.01181 118.5
[M]- 145.01291 118.5
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