CID 3048522

Naphthalene, 5-methoxy-1-(1-pyrrolidinyl)-1,2,3,4-tetrahydro-8-valeryl-, hydrochloride

Structural Information

Molecular Formula
C20H29NO2
SMILES
CCCCC(=O)C1=C2C(CCCC2=C(C=C1)OC)N3CCCC3
InChI
InChI=1S/C20H29NO2/c1-3-4-10-18(22)15-11-12-19(23-2)16-8-7-9-17(20(15)16)21-13-5-6-14-21/h11-12,17H,3-10,13-14H2,1-2H3
InChIKey
WGEUSLIIPRZDEA-UHFFFAOYSA-N
Compound name
1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.21982 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 179.8
[M+Na]+ 338.20904 183.5
[M-H]- 314.21254 184.4
[M+NH4]+ 333.25364 195.5
[M+K]+ 354.18298 179.2
[M+H-H2O]+ 298.21708 171.3
[M+HCOO]- 360.21802 195.0
[M+CH3COO]- 374.23367 209.0
[M+Na-2H]- 336.19449 177.5
[M]+ 315.21927 177.8
[M]- 315.22037 177.8
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

No patent data available for this compound.