CID 12706

Dihydroxyurea

Structural Information

Molecular Formula
CH4N2O3
SMILES
C(=O)(NO)NO
InChI
InChI=1S/CH4N2O3/c4-1(2-5)3-6/h5-6H,(H2,2,3,4)
InChIKey
IBTSIFIGTARYRB-UHFFFAOYSA-N
Compound name
1,3-dihydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

288
Patents

92.022194 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.029470 112.9
[M+Na]+ 115.01141 119.7
[M-H]- 91.014918 111.1
[M+NH4]+ 110.05602 134.3
[M+K]+ 130.98535 120.0
[M+H-H2O]+ 75.019454 108.3
[M+HCOO]- 137.02040 137.1
[M+CH3COO]- 151.03604 161.3
[M+Na-2H]- 112.99686 120.5
[M]+ 92.021645 109.5
[M]- 92.022743 109.5
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.