CID 14208380

Etoxadrol

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC[C@@]1(OC[C@@H](O1)[C@@H]2CCCCN2)C3=CC=CC=C3
InChI
InChI=1S/C16H23NO2/c1-2-16(13-8-4-3-5-9-13)18-12-15(19-16)14-10-6-7-11-17-14/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3/t14-,15+,16-/m0/s1
InChIKey
INOYCBNLWYEPSB-XHSDSOJGSA-N
Compound name
(2S)-2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1000
Patents

261.17288 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 162.3
[M+Na]+ 284.162098 165.9
[M-H]- 260.165604 169.2
[M+NH4]+ 279.206703 177.2
[M+K]+ 300.136038 164.3
[M+H-H2O]+ 244.170140 154.4
[M+HCOO]- 306.171081 176.8
[M+CH3COO]- 320.186731 172.5
[M+Na-2H]- 282.147546 165.1
[M]+ 261.17233142 156.5
[M]- 261.17342858 156.5
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

patents stripe