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 159.5
[M+Na]+ 282.14645 165.2
[M-H]- 258.14995 164.3
[M+NH4]+ 277.19105 177.4
[M+K]+ 298.12039 162.4
[M+H-H2O]+ 242.15449 152.0
[M+HCOO]- 304.15543 170.4
[M+CH3COO]- 318.17108 169.7
[M+Na-2H]- 280.13190 164.1
[M]+ 259.15668 153.4
[M]- 259.15778 153.4
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.