CID 721780

329063-78-7

Structural Information

Molecular Formula
C17H21NO
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC2=CC=C(C=C2)N
InChI
InChI=1S/C17H21NO/c1-12(2)16-9-4-13(3)10-17(16)19-11-14-5-7-15(18)8-6-14/h4-10,12H,11,18H2,1-3H3
InChIKey
MHVJXMZPBOXUQX-UHFFFAOYSA-N
Compound name
4-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

255.16231 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 161.4
[M+Na]+ 278.15153 168.4
[M-H]- 254.15503 167.9
[M+NH4]+ 273.19613 178.2
[M+K]+ 294.12547 164.5
[M+H-H2O]+ 238.15957 153.8
[M+HCOO]- 300.16051 184.4
[M+CH3COO]- 314.17616 201.6
[M+Na-2H]- 276.13698 163.8
[M]+ 255.16176 161.9
[M]- 255.16286 161.9
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.