CID 82498

Aniline, p-(p-tert-butylphenoxy)-, hydrochloride

Structural Information

Molecular Formula
C16H19NO
SMILES
CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)N
InChI
InChI=1S/C16H19NO/c1-16(2,3)12-4-8-14(9-5-12)18-15-10-6-13(17)7-11-15/h4-11H,17H2,1-3H3
InChIKey
FHOZTGQNSUZCIN-UHFFFAOYSA-N
Compound name
4-(4-tert-butylphenoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

197
Patents

241.14667 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.153946 156.9
[M+Na]+ 264.135888 164.2
[M-H]- 240.139394 163.5
[M+NH4]+ 259.180493 174.3
[M+K]+ 280.109828 160.5
[M+H-H2O]+ 224.143930 149.8
[M+HCOO]- 286.144871 179.7
[M+CH3COO]- 300.160521 196.3
[M+Na-2H]- 262.121336 162.5
[M]+ 241.14612142 156.7
[M]- 241.14721858 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe