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]+ 246.14887 154.3
[M+Na]+ 268.13081 159.5
[M-H]- 244.13431 158.9
[M+NH4]+ 263.17541 172.4
[M+K]+ 284.10475 156.9
[M+H-H2O]+ 228.13885 146.7
[M+HCOO]- 290.13979 165.6
[M+CH3COO]- 304.15544 164.7
[M+Na-2H]- 266.11626 160.1
[M]+ 245.14104 147.5
[M]- 245.14214 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.