CID 312376

3-amino-1,1-dimethylurea

Structural Information

Molecular Formula
C3H9N3O
SMILES
CN(C)C(=O)NN
InChI
InChI=1S/C3H9N3O/c1-6(2)3(7)5-4/h4H2,1-2H3,(H,5,7)
InChIKey
PGLFGNJUOPLFLV-UHFFFAOYSA-N
Compound name
3-amino-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

123
Patents

103.07456 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.08184 120.0
[M+Na]+ 126.06378 126.3
[M-H]- 102.06728 121.8
[M+NH4]+ 121.10838 142.6
[M+K]+ 142.03772 128.1
[M+H-H2O]+ 86.071820 114.5
[M+HCOO]- 148.07276 147.1
[M+CH3COO]- 162.08841 176.1
[M+Na-2H]- 124.04923 126.0
[M]+ 103.07401 117.8
[M]- 103.07511 117.8
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