CID 749899

153643-88-0

Structural Information

Molecular Formula
C15H19NO2
SMILES
C1CCC2(C1)CNCC3=CC4=C(C=C23)OCCO4
InChI
InChI=1S/C15H19NO2/c1-2-4-15(3-1)10-16-9-11-7-13-14(8-12(11)15)18-6-5-17-13/h7-8,16H,1-6,9-10H2
InChIKey
JLFRUCXKFPXUHX-UHFFFAOYSA-N
Compound name
spiro[3,6,7,8-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.148866 154.3
[M+Na]+ 268.130808 159.5
[M-H]- 244.134314 158.9
[M+NH4]+ 263.175413 172.4
[M+K]+ 284.104748 156.9
[M+H-H2O]+ 228.138850 146.7
[M+HCOO]- 290.139791 165.6
[M+CH3COO]- 304.155441 164.7
[M+Na-2H]- 266.116256 160.1
[M]+ 245.14104142 147.5
[M]- 245.14213858 147.5
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.