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

712
Patents

148.0848 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09208 131.4
[M+Na]+ 171.07402 136.6
[M-H]- 147.07752 129.8
[M+NH4]+ 166.11862 150.9
[M+K]+ 187.04796 137.0
[M+H-H2O]+ 131.08206 125.9
[M+HCOO]- 193.08300 154.3
[M+CH3COO]- 207.09865 176.9
[M+Na-2H]- 169.05947 135.1
[M]+ 148.08425 129.9
[M]- 148.08535 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