CID 13080

785-34-2

Structural Information

Molecular Formula
C14H21NO2
SMILES
C1CCN(C1)CCOCC(C2=CC=CC=C2)O
InChI
InChI=1S/C14H21NO2/c16-14(13-6-2-1-3-7-13)12-17-11-10-15-8-4-5-9-15/h1-3,6-7,14,16H,4-5,8-12H2
InChIKey
GISQOONCPYNURT-UHFFFAOYSA-N
Compound name
1-phenyl-2-(2-pyrrolidin-1-ylethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 156.4
[M+Na]+ 258.146448 160.0
[M-H]- 234.149954 159.1
[M+NH4]+ 253.191053 173.2
[M+K]+ 274.120388 157.3
[M+H-H2O]+ 218.154490 148.4
[M+HCOO]- 280.155431 175.3
[M+CH3COO]- 294.171081 187.5
[M+Na-2H]- 256.131896 158.2
[M]+ 235.15668142 154.2
[M]- 235.15777858 154.2
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.