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]+ 214.122646 147.2
[M+Na]+ 236.104588 155.8
[M-H]- 212.108094 154.2
[M+NH4]+ 231.149193 165.8
[M+K]+ 252.078528 152.1
[M+H-H2O]+ 196.112630 140.1
[M+HCOO]- 258.113571 172.3
[M+CH3COO]- 272.129221 191.7
[M+Na-2H]- 234.090036 152.5
[M]+ 213.11482142 147.2
[M]- 213.11591858 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