CID 54130249

72877-98-6

Structural Information

Molecular Formula
C9H20N2O5
SMILES
C(COCCO)NC(=O)NCCOCCO
InChI
InChI=1S/C9H20N2O5/c12-3-7-15-5-1-10-9(14)11-2-6-16-8-4-13/h12-13H,1-8H2,(H2,10,11,14)
InChIKey
NTVMILOZMRGPCB-UHFFFAOYSA-N
Compound name
1,3-bis[2-(2-hydroxyethoxy)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

236.13722 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14450 152.3
[M+Na]+ 259.12644 155.4
[M-H]- 235.12994 149.0
[M+NH4]+ 254.17104 167.8
[M+K]+ 275.10038 155.0
[M+H-H2O]+ 219.13448 145.6
[M+HCOO]- 281.13542 174.5
[M+CH3COO]- 295.15107 190.0
[M+Na-2H]- 257.11189 156.2
[M]+ 236.13667 154.9
[M]- 236.13777 154.9
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

patents stripe