CID 4072797

4-methyl-n-[2-(4-methylphenoxy)ethyl]aniline

Structural Information

Molecular Formula
C16H19NO
SMILES
CC1=CC=C(C=C1)NCCOC2=CC=C(C=C2)C
InChI
InChI=1S/C16H19NO/c1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16/h3-10,17H,11-12H2,1-2H3
InChIKey
UTQITHMVPMEITM-UHFFFAOYSA-N
Compound name
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.14667 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.153946 155.9
[M+Na]+ 264.135888 162.7
[M-H]- 240.139394 162.5
[M+NH4]+ 259.180493 173.3
[M+K]+ 280.109828 158.8
[M+H-H2O]+ 224.143930 148.1
[M+HCOO]- 286.144871 180.9
[M+CH3COO]- 300.160521 197.2
[M+Na-2H]- 262.121336 161.8
[M]+ 241.14612142 157.2
[M]- 241.14721858 157.2
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

No patent data available for this compound.