CID 84910

Urea, n,n'-bis(2-hydroxyethyl)-

Structural Information

Molecular Formula
C5H12N2O3
SMILES
C(CO)NC(=O)NCCO
InChI
InChI=1S/C5H12N2O3/c8-3-1-6-5(10)7-2-4-9/h8-9H,1-4H2,(H2,6,7,10)
InChIKey
KSYGJAFGQWTAFW-UHFFFAOYSA-N
Compound name
1,3-bis(2-hydroxyethyl)urea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1272
Patents

148.0848 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.092076 130.9
[M+Na]+ 171.074018 136.0
[M-H]- 147.077524 128.4
[M+NH4]+ 166.118623 150.1
[M+K]+ 187.047958 135.3
[M+H-H2O]+ 131.082060 125.5
[M+HCOO]- 193.083001 153.9
[M+CH3COO]- 207.098651 173.5
[M+Na-2H]- 169.059466 136.5
[M]+ 148.08425142 129.0
[M]- 148.08534858 129.0
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