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 157.5
[M+Na]+ 266.15153 161.5
[M-H]- 242.15503 161.9
[M+NH4]+ 261.19613 173.9
[M+K]+ 282.12547 157.1
[M+H-H2O]+ 226.15957 148.7
[M+HCOO]- 288.16051 172.7
[M+CH3COO]- 302.17616 167.5
[M+Na-2H]- 264.13698 161.0
[M]+ 243.16176 150.6
[M]- 243.16286 150.6
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