CID 3064615

105124-36-5

Structural Information

Molecular Formula
C14H19NO2
SMILES
COC1=CC2=C(C=C1)[C@H]3[C@H](CCC2)NCCO3
InChI
InChI=1S/C14H19NO2/c1-16-11-5-6-12-10(9-11)3-2-4-13-14(12)17-8-7-15-13/h5-6,9,13-15H,2-4,7-8H2,1H3/t13-,14-/m0/s1
InChIKey
LYEKMIJZRZFLRS-KBPBESRZSA-N
Compound name
(2S,7S)-13-methoxy-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 148.8
[M+Na]+ 256.13081 153.2
[M-H]- 232.13431 152.3
[M+NH4]+ 251.17541 164.3
[M+K]+ 272.10475 154.1
[M+H-H2O]+ 216.13885 142.7
[M+HCOO]- 278.13979 162.1
[M+CH3COO]- 292.15544 159.1
[M+Na-2H]- 254.11626 155.2
[M]+ 233.14104 142.4
[M]- 233.14214 142.4
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.