CID 1512530

2-(2,6-dimethylphenoxy)aniline

Structural Information

Molecular Formula
C14H15NO
SMILES
CC1=C(C(=CC=C1)C)OC2=CC=CC=C2N
InChI
InChI=1S/C14H15NO/c1-10-6-5-7-11(2)14(10)16-13-9-4-3-8-12(13)15/h3-9H,15H2,1-2H3
InChIKey
UHVRHECMNPFEBT-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylphenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

213.11537 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12265 147.2
[M+Na]+ 236.10459 155.8
[M-H]- 212.10809 154.2
[M+NH4]+ 231.14919 165.8
[M+K]+ 252.07853 152.1
[M+H-H2O]+ 196.11263 140.1
[M+HCOO]- 258.11357 172.3
[M+CH3COO]- 272.12922 191.7
[M+Na-2H]- 234.09004 152.5
[M]+ 213.11482 147.2
[M]- 213.11592 147.2
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