CID 64222777

6,7,8,9-tetrahydrospiro[benzo[7]annulene-5,3'-piperidine]

Structural Information

Molecular Formula
C15H21N
SMILES
C1CCC2(CCCNC2)C3=CC=CC=C3C1
InChI
InChI=1S/C15H21N/c1-2-8-14-13(6-1)7-3-4-9-15(14)10-5-11-16-12-15/h1-2,6,8,16H,3-5,7,9-12H2
InChIKey
RRTZRQOJLYTCAQ-UHFFFAOYSA-N
Compound name
spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,3'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.1674 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17468 150.3
[M+Na]+ 238.15662 153.0
[M-H]- 214.16012 153.7
[M+NH4]+ 233.20122 168.3
[M+K]+ 254.13056 151.1
[M+H-H2O]+ 198.16466 143.3
[M+HCOO]- 260.16560 163.8
[M+CH3COO]- 274.18125 159.7
[M+Na-2H]- 236.14207 156.1
[M]+ 215.16685 138.3
[M]- 215.16795 138.3
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.