CID 83821668

2089256-02-8

Structural Information

Molecular Formula
C14H20N2
SMILES
CN1CCC2(CC1)CNCC3=CC=CC=C23
InChI
InChI=1S/C14H20N2/c1-16-8-6-14(7-9-16)11-15-10-12-4-2-3-5-13(12)14/h2-5,15H,6-11H2,1H3
InChIKey
DTSIKRKXTOMFRO-UHFFFAOYSA-N
Compound name
1'-methylspiro[2,3-dihydro-1H-isoquinoline-4,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

216.16264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 152.4
[M+Na]+ 239.151858 157.5
[M-H]- 215.155364 153.5
[M+NH4]+ 234.196463 170.5
[M+K]+ 255.125798 152.6
[M+H-H2O]+ 199.159900 143.5
[M+HCOO]- 261.160841 165.1
[M+CH3COO]- 275.176491 162.1
[M+Na-2H]- 237.137306 158.6
[M]+ 216.16209142 143.5
[M]- 216.16318858 143.5
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

patents stripe