CID 43509310

2-methyl-3-(phenoxymethyl)aniline

Structural Information

Molecular Formula
C14H15NO
SMILES
CC1=C(C=CC=C1N)COC2=CC=CC=C2
InChI
InChI=1S/C14H15NO/c1-11-12(6-5-9-14(11)15)10-16-13-7-3-2-4-8-13/h2-9H,10,15H2,1H3
InChIKey
PAOUJMKWJRFKRE-UHFFFAOYSA-N
Compound name
2-methyl-3-(phenoxymethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.11537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12265 148.1
[M+Na]+ 236.10459 162.9
[M+NH4]+ 231.14919 157.7
[M+K]+ 252.07853 154.6
[M-H]- 212.10809 154.0
[M+Na-2H]- 234.09004 158.3
[M]+ 213.11482 152.0
[M]- 213.11592 152.0
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

No patent data available for this compound.