CID 5274123

Methylspiro[[?]-1,1'-cyclopropane]

Structural Information

Molecular Formula
C17H18N2
SMILES
CN1CC2(CC2)C=C3[C@H]1CC4=CNC5=CC=CC3=C45
InChI
InChI=1S/C17H18N2/c1-19-10-17(5-6-17)8-13-12-3-2-4-14-16(12)11(9-18-14)7-15(13)19/h2-4,8-9,15,18H,5-7,10H2,1H3/t15-/m1/s1
InChIKey
DKZILYPGRMMOLI-OAHLLOKOSA-N
Compound name
(6aR)-7-methylspiro[4,6,6a,8-tetrahydroindolo[4,3-fg]quinoline-9,1'-cyclopropane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.147 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 163.4
[M+Na]+ 273.13622 175.2
[M-H]- 249.13972 167.7
[M+NH4]+ 268.18082 179.9
[M+K]+ 289.11016 167.5
[M+H-H2O]+ 233.14426 155.2
[M+HCOO]- 295.14520 178.1
[M+CH3COO]- 309.16085 174.3
[M+Na-2H]- 271.12167 169.6
[M]+ 250.14645 164.1
[M]- 250.14755 164.1
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.