CID 440999

N-(aminomethyl)urea

Structural Information

Molecular Formula
C2H7N3O
SMILES
C(N)NC(=O)N
InChI
InChI=1S/C2H7N3O/c3-1-5-2(4)6/h1,3H2,(H3,4,5,6)
InChIKey
CKLDBLDTILPFHV-UHFFFAOYSA-N
Compound name
aminomethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

89.058914 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.066190 114.9
[M+Na]+ 112.048132 121.3
[M-H]- 88.051638 114.7
[M+NH4]+ 107.092737 136.9
[M+K]+ 128.022072 121.5
[M+H-H2O]+ 72.056174 109.6
[M+HCOO]- 134.057115 141.1
[M+CH3COO]- 148.072765 169.7
[M+Na-2H]- 110.033580 121.1
[M]+ 89.05836542 110.0
[M]- 89.05946258 110.0
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