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]+ 272.200876 166.5
[M+Na]+ 294.182818 169.6
[M-H]- 270.186324 170.5
[M+NH4]+ 289.227423 181.8
[M+K]+ 310.156758 164.7
[M+H-H2O]+ 254.190860 157.3
[M+HCOO]- 316.191801 181.1
[M+CH3COO]- 330.207451 175.6
[M+Na-2H]- 292.168266 168.9
[M]+ 271.19305142 160.3
[M]- 271.19414858 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.