CID 43436401

2-methyl-4-(1-phenylethoxy)aniline

Structural Information

Molecular Formula
C15H17NO
SMILES
CC1=C(C=CC(=C1)OC(C)C2=CC=CC=C2)N
InChI
InChI=1S/C15H17NO/c1-11-10-14(8-9-15(11)16)17-12(2)13-6-4-3-5-7-13/h3-10,12H,16H2,1-2H3
InChIKey
LKDUICDNPUEDKC-UHFFFAOYSA-N
Compound name
2-methyl-4-(1-phenylethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.13101 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.138286 152.3
[M+Na]+ 250.120228 159.3
[M-H]- 226.123734 158.8
[M+NH4]+ 245.164833 170.0
[M+K]+ 266.094168 155.8
[M+H-H2O]+ 210.128270 145.0
[M+HCOO]- 272.129211 176.1
[M+CH3COO]- 286.144861 194.4
[M+Na-2H]- 248.105676 156.5
[M]+ 227.13046142 151.7
[M]- 227.13155858 151.7
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.