CID 490550

Phenol, 4-[4-[(1-methylethyl)amino]phenoxy]-

Structural Information

Molecular Formula
C15H17NO2
SMILES
CC(C)NC1=CC=C(C=C1)OC2=CC=C(C=C2)O
InChI
InChI=1S/C15H17NO2/c1-11(2)16-12-3-7-14(8-4-12)18-15-9-5-13(17)6-10-15/h3-11,16-17H,1-2H3
InChIKey
VTNOQHCNCWVWKS-UHFFFAOYSA-N
Compound name
4-[4-(propan-2-ylamino)phenoxy]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

243.12593 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 155.2
[M+Na]+ 266.11515 161.6
[M-H]- 242.11865 160.8
[M+NH4]+ 261.15975 171.7
[M+K]+ 282.08909 158.2
[M+H-H2O]+ 226.12319 147.8
[M+HCOO]- 288.12413 178.3
[M+CH3COO]- 302.13978 194.6
[M+Na-2H]- 264.10060 160.0
[M]+ 243.12538 155.1
[M]- 243.12648 155.1
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