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]+ 236.16451 156.4
[M+Na]+ 258.14645 160.0
[M-H]- 234.14995 159.1
[M+NH4]+ 253.19105 173.2
[M+K]+ 274.12039 157.3
[M+H-H2O]+ 218.15449 148.4
[M+HCOO]- 280.15543 175.3
[M+CH3COO]- 294.17108 187.5
[M+Na-2H]- 256.13190 158.2
[M]+ 235.15668 154.2
[M]- 235.15778 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.