CID 16227552

153643-98-2

Structural Information

Molecular Formula
C16H21NO2
SMILES
CC1C2=CC3=C(C=C2C4(CCCC4)CN1)OCCO3
InChI
InChI=1S/C16H21NO2/c1-11-12-8-14-15(19-7-6-18-14)9-13(12)16(10-17-11)4-2-3-5-16/h8-9,11,17H,2-7,10H2,1H3
InChIKey
VNMIQBRRZLHKHH-UHFFFAOYSA-N
Compound name
6-methylspiro[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

259.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16451 161.9
[M+Na]+ 282.14645 173.8
[M+NH4]+ 277.19105 173.1
[M+K]+ 298.12039 166.7
[M-H]- 258.14995 168.0
[M+Na-2H]- 280.13190 165.6
[M]+ 259.15668 165.4
[M]- 259.15778 165.4
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.