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

174
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

literature stripe

Patent stripe

patents stripe