CID 71129

Zylofuramine

Structural Information

Molecular Formula
C14H21NO
SMILES
CCN[C@H](CC1=CC=CC=C1)[C@H]2CCCO2
InChI
InChI=1S/C14H21NO/c1-2-15-13(14-9-6-10-16-14)11-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3/t13-,14-/m1/s1
InChIKey
DOFCLOLKFGSRTG-ZIAGYGMSSA-N
Compound name
(1R)-N-ethyl-1-[(2R)-oxolan-2-yl]-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

151
Patents

219.16231 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 153.0
[M+Na]+ 242.151528 156.3
[M-H]- 218.155034 159.1
[M+NH4]+ 237.196133 170.9
[M+K]+ 258.125468 154.8
[M+H-H2O]+ 202.159570 145.8
[M+HCOO]- 264.160511 174.5
[M+CH3COO]- 278.176161 190.3
[M+Na-2H]- 240.136976 156.4
[M]+ 219.16176142 150.6
[M]- 219.16285858 150.6
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