CID 56890

95422-35-8

Structural Information

Molecular Formula
C18H25NO
SMILES
C1CCN(CC1)CCCC2CCC3=CC=CC=C3C2=O
InChI
InChI=1S/C18H25NO/c20-18-16(8-6-14-19-12-4-1-5-13-19)11-10-15-7-2-3-9-17(15)18/h2-3,7,9,16H,1,4-6,8,10-14H2
InChIKey
OQCZLJMSYOVPSE-UHFFFAOYSA-N
Compound name
2-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1936 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20088 166.5
[M+Na]+ 294.18282 169.6
[M-H]- 270.18632 170.5
[M+NH4]+ 289.22742 181.8
[M+K]+ 310.15676 164.7
[M+H-H2O]+ 254.19086 157.3
[M+HCOO]- 316.19180 181.1
[M+CH3COO]- 330.20745 175.6
[M+Na-2H]- 292.16827 168.9
[M]+ 271.19305 160.3
[M]- 271.19415 160.3
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

No patent data available for this compound.