CID 93239

1-nitrosohydantoin

Structural Information

Molecular Formula
C3H3N3O3
SMILES
C1C(=O)NC(=O)N1N=O
InChI
InChI=1S/C3H3N3O3/c7-2-1-6(5-9)3(8)4-2/h1H2,(H,4,7,8)
InChIKey
UIDGJTUNLMQGLT-UHFFFAOYSA-N
Compound name
1-nitrosoimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

129.01744 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.024716 119.4
[M+Na]+ 152.006658 128.8
[M-H]- 128.010164 120.9
[M+NH4]+ 147.051263 140.2
[M+K]+ 167.980598 128.5
[M+H-H2O]+ 112.014700 113.0
[M+HCOO]- 174.015641 143.3
[M+CH3COO]- 188.031291 170.0
[M+Na-2H]- 149.992106 125.4
[M]+ 129.01689142 118.1
[M]- 129.01798858 118.1
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