CID 56687010

2-amino-1-(3-cyclopentyloxyphenyl)ethanol

Structural Information

Molecular Formula
C13H19NO2
SMILES
C1CCC(C1)OC2=CC=CC(=C2)C(CN)O
InChI
InChI=1S/C13H19NO2/c14-9-13(15)10-4-3-7-12(8-10)16-11-5-1-2-6-11/h3-4,7-8,11,13,15H,1-2,5-6,9,14H2
InChIKey
LFLUNKAKVJZCAA-UHFFFAOYSA-N
Compound name
2-amino-1-(3-cyclopentyloxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.3
[M+Na]+ 244.13081 155.3
[M-H]- 220.13431 155.5
[M+NH4]+ 239.17541 169.7
[M+K]+ 260.10475 152.5
[M+H-H2O]+ 204.13885 144.5
[M+HCOO]- 266.13979 172.2
[M+CH3COO]- 280.15544 187.4
[M+Na-2H]- 242.11626 152.4
[M]+ 221.14104 146.9
[M]- 221.14214 146.9
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.