CID 174572

4-(3,5-dimethylphenoxy)aniline

Structural Information

Molecular Formula
C14H15NO
SMILES
CC1=CC(=CC(=C1)OC2=CC=C(C=C2)N)C
InChI
InChI=1S/C14H15NO/c1-10-7-11(2)9-14(8-10)16-13-5-3-12(15)4-6-13/h3-9H,15H2,1-2H3
InChIKey
KUIQDVYCIYFSQV-UHFFFAOYSA-N
Compound name
4-(3,5-dimethylphenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

16
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

literature stripe

Patent stripe

patents stripe