CID 22961955

N-methyl-2-phenoxyaniline

Structural Information

Molecular Formula
C13H13NO
SMILES
CNC1=CC=CC=C1OC2=CC=CC=C2
InChI
InChI=1S/C13H13NO/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKey
KWLMNTMQLZGMDL-UHFFFAOYSA-N
Compound name
N-methyl-2-phenoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

199.09972 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.106996 142.0
[M+Na]+ 222.088938 149.2
[M-H]- 198.092444 148.8
[M+NH4]+ 217.133543 160.8
[M+K]+ 238.062878 145.9
[M+H-H2O]+ 182.096980 134.7
[M+HCOO]- 244.097921 168.0
[M+CH3COO]- 258.113571 187.0
[M+Na-2H]- 220.074386 150.4
[M]+ 199.09917142 141.8
[M]- 199.10026858 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe