CID 147025

1-hydroxy-1-methyl-3-phenylurea

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CN(C(=O)NC1=CC=CC=C1)O
InChI
InChI=1S/C8H10N2O2/c1-10(12)8(11)9-7-5-3-2-4-6-7/h2-6,12H,1H3,(H,9,11)
InChIKey
WDFAHNFQLHAIAW-UHFFFAOYSA-N
Compound name
1-hydroxy-1-methyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

166.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 134.6
[M+Na]+ 189.06345 144.6
[M+NH4]+ 184.10805 142.3
[M+K]+ 205.03739 140.1
[M-H]- 165.06695 136.8
[M+Na-2H]- 187.04890 141.2
[M]+ 166.07368 136.3
[M]- 166.07478 136.3
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