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]+ 216.174676 150.3
[M+Na]+ 238.156618 153.0
[M-H]- 214.160124 153.7
[M+NH4]+ 233.201223 168.3
[M+K]+ 254.130558 151.1
[M+H-H2O]+ 198.164660 143.3
[M+HCOO]- 260.165601 163.8
[M+CH3COO]- 274.181251 159.7
[M+Na-2H]- 236.142066 156.1
[M]+ 215.16685142 138.3
[M]- 215.16794858 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.