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]+ 242.15395 156.8
[M+Na]+ 264.13589 164.2
[M-H]- 240.13939 163.4
[M+NH4]+ 259.18049 174.2
[M+K]+ 280.10983 160.6
[M+H-H2O]+ 224.14393 149.4
[M+HCOO]- 286.14487 180.1
[M+CH3COO]- 300.16052 198.6
[M+Na-2H]- 262.12134 159.7
[M]+ 241.14612 156.9
[M]- 241.14722 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.