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
2
Annotation Hits

0
References

2794
Patents

180.07462 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08190 136.7
[M+Na]+ 203.06384 141.0
[M-H]- 179.06734 134.2
[M+NH4]+ 198.10844 154.2
[M+K]+ 219.03778 142.6
[M+H-H2O]+ 163.07188 130.9
[M+HCOO]- 225.07282 158.1
[M+CH3COO]- 239.08847 179.9
[M+Na-2H]- 201.04929 139.8
[M]+ 180.07407 136.4
[M]- 180.07517 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