CID 701891

1-(1-naphthylmethyl)piperazine

Structural Information

Molecular Formula
C15H18N2
SMILES
C1CN(CCN1)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C15H18N2/c1-2-7-15-13(4-1)5-3-6-14(15)12-17-10-8-16-9-11-17/h1-7,16H,8-12H2
InChIKey
HGYDREHWXXUUIS-UHFFFAOYSA-N
Compound name
1-(naphthalen-1-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

52
References

193
Patents

226.147 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.154276 152.6
[M+Na]+ 249.136218 157.7
[M-H]- 225.139724 154.7
[M+NH4]+ 244.180823 167.7
[M+K]+ 265.110158 151.9
[M+H-H2O]+ 209.144260 143.3
[M+HCOO]- 271.145201 167.9
[M+CH3COO]- 285.160851 162.5
[M+Na-2H]- 247.121666 159.1
[M]+ 226.14645142 145.9
[M]- 226.14754858 145.9
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