CID 10853

Benzylurea

Structural Information

Molecular Formula
C8H10N2O
SMILES
C1=CC=C(C=C1)CNC(=O)N
InChI
InChI=1S/C8H10N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)
InChIKey
RJNJWHFSKNJCTB-UHFFFAOYSA-N
Compound name
benzylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

4059
Patents

150.07932 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 131.1
[M+Na]+ 173.06854 141.7
[M+NH4]+ 168.11314 139.4
[M+K]+ 189.04248 136.1
[M-H]- 149.07204 133.9
[M+Na-2H]- 171.05399 138.1
[M]+ 150.07877 133.1
[M]- 150.07987 133.1
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