CID 3068860

83939-22-4

Structural Information

Molecular Formula
C15H21NO
SMILES
CCN1CCO[C@@H]2[C@@H]1CCCC3=CC=CC=C23
InChI
InChI=1S/C15H21NO/c1-2-16-10-11-17-15-13-8-4-3-6-12(13)7-5-9-14(15)16/h3-4,6,8,14-15H,2,5,7,9-11H2,1H3/t14-,15-/m0/s1
InChIKey
QXSWGDFDQUZINM-GJZGRUSLSA-N
Compound name
(2S,7S)-6-ethyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

231.16231 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 149.8
[M+Na]+ 254.151528 154.3
[M-H]- 230.155034 154.4
[M+NH4]+ 249.196133 166.1
[M+K]+ 270.125468 154.9
[M+H-H2O]+ 214.159570 143.4
[M+HCOO]- 276.160511 164.0
[M+CH3COO]- 290.176161 160.4
[M+Na-2H]- 252.136976 156.0
[M]+ 231.16176142 143.9
[M]- 231.16285858 143.9
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

patents stripe