CID 98687

23270-55-5

Structural Information

Molecular Formula
C5H12N2O3
SMILES
C(CO)N(CCO)C(=O)N
InChI
InChI=1S/C5H12N2O3/c6-5(10)7(1-3-8)2-4-9/h8-9H,1-4H2,(H2,6,10)
InChIKey
BQMXKMPREFOYHS-UHFFFAOYSA-N
Compound name
1,1-bis(2-hydroxyethyl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

775
Patents

148.0848 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.092076 131.4
[M+Na]+ 171.074018 136.6
[M-H]- 147.077524 129.8
[M+NH4]+ 166.118623 150.9
[M+K]+ 187.047958 137.0
[M+H-H2O]+ 131.082060 125.9
[M+HCOO]- 193.083001 154.3
[M+CH3COO]- 207.098651 176.9
[M+Na-2H]- 169.059466 135.1
[M]+ 148.08425142 129.9
[M]- 148.08534858 129.9
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