CID 20830

2-piperidinomethyl-1-tetralone

Structural Information

Molecular Formula
C16H21NO
SMILES
C1CCN(CC1)CC2CCC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H21NO/c18-16-14(12-17-10-4-1-5-11-17)9-8-13-6-2-3-7-15(13)16/h2-3,6-7,14H,1,4-5,8-12H2
InChIKey
UYBXDDGLSMPWAN-UHFFFAOYSA-N
Compound name
2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

243.16231 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.16959 158.8
[M+Na]+ 266.15153 171.9
[M+NH4]+ 261.19613 168.6
[M+K]+ 282.12547 163.1
[M-H]- 242.15503 163.7
[M+Na-2H]- 264.13698 165.5
[M]+ 243.16176 162.1
[M]- 243.16286 162.1
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