CID 26190065

4-(3-isopropylphenoxy)-3-methylaniline

Structural Information

Molecular Formula
C16H19NO
SMILES
CC1=C(C=CC(=C1)N)OC2=CC=CC(=C2)C(C)C
InChI
InChI=1S/C16H19NO/c1-11(2)13-5-4-6-15(10-13)18-16-8-7-14(17)9-12(16)3/h4-11H,17H2,1-3H3
InChIKey
UHQLCQMKGVULDA-UHFFFAOYSA-N
Compound name
3-methyl-4-(3-propan-2-ylphenoxy)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 156.8
[M+Na]+ 264.135888 164.2
[M-H]- 240.139394 163.4
[M+NH4]+ 259.180493 174.2
[M+K]+ 280.109828 160.6
[M+H-H2O]+ 224.143930 149.4
[M+HCOO]- 286.144871 180.1
[M+CH3COO]- 300.160521 198.6
[M+Na-2H]- 262.121336 159.7
[M]+ 241.14612142 156.9
[M]- 241.14721858 156.9
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.