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]+ 228.13829 152.3
[M+Na]+ 250.12023 159.3
[M-H]- 226.12373 158.8
[M+NH4]+ 245.16483 170.0
[M+K]+ 266.09417 155.8
[M+H-H2O]+ 210.12827 145.0
[M+HCOO]- 272.12921 176.1
[M+CH3COO]- 286.14486 194.4
[M+Na-2H]- 248.10568 156.5
[M]+ 227.13046 151.7
[M]- 227.13156 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.