CID 256004

1-amino-1-methylurea

Structural Information

Molecular Formula
C2H7N3O
SMILES
CN(C(=O)N)N
InChI
InChI=1S/C2H7N3O/c1-5(4)2(3)6/h4H2,1H3,(H2,3,6)
InChIKey
DOORGKNGFZOACY-UHFFFAOYSA-N
Compound name
1-amino-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

267
Patents

89.058914 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.066190 115.4
[M+Na]+ 112.04813 122.0
[M-H]- 88.051638 116.8
[M+NH4]+ 107.09274 138.2
[M+K]+ 128.02207 123.7
[M+H-H2O]+ 72.056174 110.1
[M+HCOO]- 134.05712 142.2
[M+CH3COO]- 148.07276 173.1
[M+Na-2H]- 110.03358 120.9
[M]+ 89.058365 111.9
[M]- 89.059463 111.9
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