CID 83348

Tris(hydroxymethyl)urea

Structural Information

Molecular Formula
C4H10N2O4
SMILES
C(NC(=O)N(CO)CO)O
InChI
InChI=1S/C4H10N2O4/c7-1-5-4(10)6(2-8)3-9/h7-9H,1-3H2,(H,5,10)
InChIKey
XJBNELXWSXDUFP-UHFFFAOYSA-N
Compound name
1,1,3-tris(hydroxymethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

455
Patents

150.06406 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07134 129.5
[M+Na]+ 173.05328 134.6
[M-H]- 149.05678 127.1
[M+NH4]+ 168.09788 148.4
[M+K]+ 189.02722 135.3
[M+H-H2O]+ 133.06132 124.1
[M+HCOO]- 195.06226 152.0
[M+CH3COO]- 209.07791 173.6
[M+Na-2H]- 171.03873 134.3
[M]+ 150.06351 128.0
[M]- 150.06461 128.0
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