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

5
Patents

233.14159 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.148866 148.8
[M+Na]+ 256.130808 153.2
[M-H]- 232.134314 152.3
[M+NH4]+ 251.175413 164.3
[M+K]+ 272.104748 154.1
[M+H-H2O]+ 216.138850 142.7
[M+HCOO]- 278.139791 162.1
[M+CH3COO]- 292.155441 159.1
[M+Na-2H]- 254.116256 155.2
[M]+ 233.14104142 142.4
[M]- 233.14213858 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

patents stripe