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 147.3
[M+Na]+ 236.10459 155.0
[M-H]- 212.10809 153.8
[M+NH4]+ 231.14919 165.6
[M+K]+ 252.07853 151.2
[M+H-H2O]+ 196.11263 140.0
[M+HCOO]- 258.11357 172.4
[M+CH3COO]- 272.12922 190.5
[M+Na-2H]- 234.09004 153.3
[M]+ 213.11482 146.9
[M]- 213.11592 146.9
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.