CID 10397867

5-methyl-2-phenoxyaniline

Structural Information

Molecular Formula
C13H13NO
SMILES
CC1=CC(=C(C=C1)OC2=CC=CC=C2)N
InChI
InChI=1S/C13H13NO/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-9H,14H2,1H3
InChIKey
GZMMICGZSGLOHE-UHFFFAOYSA-N
Compound name
5-methyl-2-phenoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

199.09972 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10700 143.5
[M+Na]+ 222.08894 158.5
[M+NH4]+ 217.13354 153.2
[M+K]+ 238.06288 150.5
[M-H]- 198.09244 149.5
[M+Na-2H]- 220.07439 154.0
[M]+ 199.09917 147.5
[M]- 199.10027 147.5
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