CID 148247

3-nitroso-2-oxazolidinone

Structural Information

Molecular Formula
C3H4N2O3
SMILES
C1COC(=O)N1N=O
InChI
InChI=1S/C3H4N2O3/c6-3-5(4-7)1-2-8-3/h1-2H2
InChIKey
MDACSTFMCAQQET-UHFFFAOYSA-N
Compound name
3-nitroso-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

18
Patents

116.022194 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.02947 115.7
[M+Na]+ 139.01141 124.3
[M-H]- 115.01492 120.2
[M+NH4]+ 134.05602 137.6
[M+K]+ 154.98535 126.6
[M+H-H2O]+ 99.019454 109.8
[M+HCOO]- 161.02040 141.3
[M+CH3COO]- 175.03604 169.5
[M+Na-2H]- 136.99686 123.9
[M]+ 116.02165 116.7
[M]- 116.02274 116.7
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