CID 76034

Urea, tetrakis(hydroxymethyl)-

Structural Information

Molecular Formula
C5H12N2O5
SMILES
C(N(CO)C(=O)N(CO)CO)O
InChI
InChI=1S/C5H12N2O5/c8-1-6(2-9)5(12)7(3-10)4-11/h8-11H,1-4H2
InChIKey
AKTDWFLTNDPLCH-UHFFFAOYSA-N
Compound name
1,1,3,3-tetrakis(hydroxymethyl)urea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2630
Patents

180.07462 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.081896 136.7
[M+Na]+ 203.063838 141.0
[M-H]- 179.067344 134.2
[M+NH4]+ 198.108443 154.2
[M+K]+ 219.037778 142.6
[M+H-H2O]+ 163.071880 130.9
[M+HCOO]- 225.072821 158.1
[M+CH3COO]- 239.088471 179.9
[M+Na-2H]- 201.049286 139.8
[M]+ 180.07407142 136.4
[M]- 180.07516858 136.4
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