CID 11159391

1,3-dimethoxy-1,3-dimethylurea

Structural Information

Molecular Formula
C5H12N2O3
SMILES
CN(C(=O)N(C)OC)OC
InChI
InChI=1S/C5H12N2O3/c1-6(9-3)5(8)7(2)10-4/h1-4H3
InChIKey
BXBKNWRSAAAPKG-UHFFFAOYSA-N
Compound name
1,3-dimethoxy-1,3-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

148.0848 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09208 130.0
[M+Na]+ 171.07402 136.4
[M-H]- 147.07752 133.5
[M+NH4]+ 166.11862 152.1
[M+K]+ 187.04796 140.4
[M+H-H2O]+ 131.08206 124.2
[M+HCOO]- 193.08300 157.1
[M+CH3COO]- 207.09865 185.6
[M+Na-2H]- 169.05947 135.3
[M]+ 148.08425 134.6
[M]- 148.08535 134.6
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