CID 212827

(2-hydroxy-2-phenylethyl)urea

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1=CC=C(C=C1)C(CNC(=O)N)O
InChI
InChI=1S/C9H12N2O2/c10-9(13)11-6-8(12)7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H3,10,11,13)
InChIKey
FLUILQHBSBEUEE-UHFFFAOYSA-N
Compound name
(2-hydroxy-2-phenylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

180.08987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 138.9
[M+Na]+ 203.07909 143.8
[M-H]- 179.08259 140.5
[M+NH4]+ 198.12369 156.9
[M+K]+ 219.05303 142.0
[M+H-H2O]+ 163.08713 132.5
[M+HCOO]- 225.08807 162.0
[M+CH3COO]- 239.10372 182.3
[M+Na-2H]- 201.06454 143.5
[M]+ 180.08932 135.1
[M]- 180.09042 135.1
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