CID 11737

1,1-dimethylurea

Structural Information

Molecular Formula
C3H8N2O
SMILES
CN(C)C(=O)N
InChI
InChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)
InChIKey
YBBLOADPFWKNGS-UHFFFAOYSA-N
Compound name
1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

50
References

25033
Patents

88.06366 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.070936 115.8
[M+Na]+ 111.05288 122.9
[M-H]- 87.056384 117.6
[M+NH4]+ 106.09748 139.4
[M+K]+ 127.02682 124.7
[M+H-H2O]+ 71.060920 110.9
[M+HCOO]- 133.06186 141.9
[M+CH3COO]- 147.07751 171.7
[M+Na-2H]- 109.03833 121.7
[M]+ 88.063111 114.5
[M]- 88.064209 114.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.