CID 90204987

1613307-26-8

Structural Information

Molecular Formula
C4H9N3O3
SMILES
CNC(=O)NNC(=O)CO
InChI
InChI=1S/C4H9N3O3/c1-5-4(10)7-6-3(9)2-8/h8H,2H2,1H3,(H,6,9)(H2,5,7,10)
InChIKey
UTTHWAWJTFTVKE-UHFFFAOYSA-N
Compound name
1-[(2-hydroxyacetyl)amino]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

147.06439 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07167 129.2
[M+Na]+ 170.05361 134.5
[M-H]- 146.05711 128.4
[M+NH4]+ 165.09821 148.7
[M+K]+ 186.02755 134.9
[M+H-H2O]+ 130.06165 123.4
[M+HCOO]- 192.06259 154.2
[M+CH3COO]- 206.07824 176.9
[M+Na-2H]- 168.03906 134.7
[M]+ 147.06384 126.5
[M]- 147.06494 126.5
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