CID 3657

Hydroxyurea

Structural Information

Molecular Formula
CH4N2O2
SMILES
C(=O)(N)NO
InChI
InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
InChIKey
VSNHCAURESNICA-UHFFFAOYSA-N
Compound name
hydroxyurea
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

11196
References

13011
Patents

76.027275 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.034551 110.0
[M+Na]+ 99.016493 117.2
[M-H]- 75.019999 109.1
[M+NH4]+ 94.061098 132.5
[M+K]+ 114.99043 117.6
[M+H-H2O]+ 59.024535 105.5
[M+HCOO]- 121.02548 134.9
[M+CH3COO]- 135.04113 161.6
[M+Na-2H]- 97.001941 117.1
[M]+ 76.026726 106.1
[M]- 76.027824 106.1
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