CID 4912857

1215504-97-4

Structural Information

Molecular Formula
C13H20N2
SMILES
CC(C1=CC=C(C=C1)N2CCCCC2)N
InChI
InChI=1S/C13H20N2/c1-11(14)12-5-7-13(8-6-12)15-9-3-2-4-10-15/h5-8,11H,2-4,9-10,14H2,1H3
InChIKey
TZRGEQLNGUDZDO-UHFFFAOYSA-N
Compound name
1-(4-piperidin-1-ylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

204.16264 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.169916 148.8
[M+Na]+ 227.151858 152.6
[M-H]- 203.155364 152.6
[M+NH4]+ 222.196463 165.5
[M+K]+ 243.125798 149.4
[M+H-H2O]+ 187.159900 140.7
[M+HCOO]- 249.160841 167.3
[M+CH3COO]- 263.176491 188.8
[M+Na-2H]- 225.137306 151.9
[M]+ 204.16209142 141.8
[M]- 204.16318858 141.8
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