CID 74092

1-methoxy-1-methyl-3-phenylurea

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CN(C(=O)NC1=CC=CC=C1)OC
InChI
InChI=1S/C9H12N2O2/c1-11(13-2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)
InChIKey
NNEWRFHYQPTQKR-UHFFFAOYSA-N
Compound name
1-methoxy-1-methyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

180.08987 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 138.0
[M+Na]+ 203.07909 143.9
[M-H]- 179.08259 143.0
[M+NH4]+ 198.12369 157.9
[M+K]+ 219.05303 144.2
[M+H-H2O]+ 163.08713 131.1
[M+HCOO]- 225.08807 164.8
[M+CH3COO]- 239.10372 187.2
[M+Na-2H]- 201.06454 144.7
[M]+ 180.08932 139.0
[M]- 180.09042 139.0
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