CID 1488713

[(2-methoxyphenyl)methyl]urea

Structural Information

Molecular Formula
C9H12N2O2
SMILES
COC1=CC=CC=C1CNC(=O)N
InChI
InChI=1S/C9H12N2O2/c1-13-8-5-3-2-4-7(8)6-11-9(10)12/h2-5H,6H2,1H3,(H3,10,11,12)
InChIKey
BKNUTQQQAPBRAR-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl)methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

180.08987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 137.7
[M+Na]+ 203.07909 144.4
[M-H]- 179.08259 141.1
[M+NH4]+ 198.12369 156.9
[M+K]+ 219.05303 142.9
[M+H-H2O]+ 163.08713 131.3
[M+HCOO]- 225.08807 163.4
[M+CH3COO]- 239.10372 185.0
[M+Na-2H]- 201.06454 143.5
[M]+ 180.08932 136.9
[M]- 180.09042 136.9
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