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]+ 232.16959 149.8
[M+Na]+ 254.15153 154.3
[M-H]- 230.15503 154.4
[M+NH4]+ 249.19613 166.1
[M+K]+ 270.12547 154.9
[M+H-H2O]+ 214.15957 143.4
[M+HCOO]- 276.16051 164.0
[M+CH3COO]- 290.17616 160.4
[M+Na-2H]- 252.13698 156.0
[M]+ 231.16176 143.9
[M]- 231.16286 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