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

67
Patents

199.09972 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10700 142.0
[M+Na]+ 222.08894 149.2
[M-H]- 198.09244 148.8
[M+NH4]+ 217.13354 160.8
[M+K]+ 238.06288 145.9
[M+H-H2O]+ 182.09698 134.7
[M+HCOO]- 244.09792 168.0
[M+CH3COO]- 258.11357 187.0
[M+Na-2H]- 220.07439 150.4
[M]+ 199.09917 141.8
[M]- 199.10027 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