CID 8832

1,3-bis(methoxymethyl)urea

Structural Information

Molecular Formula
C5H12N2O3
SMILES
COCNC(=O)NCOC
InChI
InChI=1S/C5H12N2O3/c1-9-3-6-5(8)7-4-10-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKey
XKALZGSIEJZJCZ-UHFFFAOYSA-N
Compound name
1,3-bis(methoxymethyl)urea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1662
Patents

148.0848 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09208 129.9
[M+Na]+ 171.07402 135.9
[M-H]- 147.07752 130.3
[M+NH4]+ 166.11862 150.6
[M+K]+ 187.04796 137.1
[M+H-H2O]+ 131.08206 124.3
[M+HCOO]- 193.08300 156.0
[M+CH3COO]- 207.09865 178.5
[M+Na-2H]- 169.05947 136.6
[M]+ 148.08425 132.0
[M]- 148.08535 132.0
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