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
3
Annotation Hits

50
References

14625
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 115.9
[M+Na]+ 111.05288 124.7
[M+NH4]+ 106.09748 123.9
[M+K]+ 127.02682 121.2
[M-H]- 87.056384 116.3
[M+Na-2H]- 109.03833 120.0
[M]+ 88.063111 116.9
[M]- 88.064209 116.9
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