CID 14323483

N,n'-bis(1-hydroxy-2,2-dimethoxyethyl)urea

Structural Information

Molecular Formula
C9H20N2O7
SMILES
COC(C(NC(=O)NC(C(OC)OC)O)O)OC
InChI
InChI=1S/C9H20N2O7/c1-15-7(16-2)5(12)10-9(14)11-6(13)8(17-3)18-4/h5-8,12-13H,1-4H3,(H2,10,11,14)
InChIKey
MYGNTYVJTDYOAN-UHFFFAOYSA-N
Compound name
1,3-bis(1-hydroxy-2,2-dimethoxyethyl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

268.12704 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13432 159.2
[M+Na]+ 291.11626 161.2
[M-H]- 267.11976 156.1
[M+NH4]+ 286.16086 172.9
[M+K]+ 307.09020 164.3
[M+H-H2O]+ 251.12430 152.5
[M+HCOO]- 313.12524 177.9
[M+CH3COO]- 327.14089 198.4
[M+Na-2H]- 289.10171 158.2
[M]+ 268.12649 162.1
[M]- 268.12759 162.1
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.