CID 98698

1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine

Structural Information

Molecular Formula
C14H20N2
SMILES
C1CCC2=C(C1)C=CC=C2N3CCNCC3
InChI
InChI=1S/C14H20N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h3,5,7,15H,1-2,4,6,8-11H2
InChIKey
FBPPFIPXMJEJCU-UHFFFAOYSA-N
Compound name
1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

152
Patents

216.16264 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 151.4
[M+Na]+ 239.151858 154.7
[M-H]- 215.155364 152.8
[M+NH4]+ 234.196463 166.6
[M+K]+ 255.125798 149.7
[M+H-H2O]+ 199.159900 142.1
[M+HCOO]- 261.160841 164.1
[M+CH3COO]- 275.176491 160.5
[M+Na-2H]- 237.137306 156.2
[M]+ 216.16209142 141.4
[M]- 216.16318858 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe