CID 7293

1,3-dimethylurea

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

44
References

28874
Patents

88.06366 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.070936 115.8
[M+Na]+ 111.05288 122.7
[M-H]- 87.056384 116.6
[M+NH4]+ 106.09748 139.0
[M+K]+ 127.02682 123.5
[M+H-H2O]+ 71.060920 111.0
[M+HCOO]- 133.06186 142.0
[M+CH3COO]- 147.07751 168.2
[M+Na-2H]- 109.03833 123.5
[M]+ 88.063111 114.1
[M]- 88.064209 114.1
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