CID 490551

4-[4-(1-cyclopropylethylamino)phenoxy]phenol

Structural Information

Molecular Formula
C17H19NO2
SMILES
CC(C1CC1)NC2=CC=C(C=C2)OC3=CC=C(C=C3)O
InChI
InChI=1S/C17H19NO2/c1-12(13-2-3-13)18-14-4-8-16(9-5-14)20-17-10-6-15(19)7-11-17/h4-13,18-19H,2-3H2,1H3
InChIKey
GGSVZHZGGPKUAY-UHFFFAOYSA-N
Compound name
4-[4-(1-cyclopropylethylamino)phenoxy]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.14157 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 155.6
[M+Na]+ 292.13079 163.0
[M-H]- 268.13429 164.6
[M+NH4]+ 287.17539 166.3
[M+K]+ 308.10473 158.6
[M+H-H2O]+ 252.13883 148.0
[M+HCOO]- 314.13977 178.9
[M+CH3COO]- 328.15542 201.7
[M+Na-2H]- 290.11624 160.5
[M]+ 269.14102 157.5
[M]- 269.14212 157.5
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

No patent data available for this compound.