CID 3048271

63886-60-2

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC(=O)C1=C2C(CCCC2=C(C=C1)OC)N3CCCC3
InChI
InChI=1S/C17H23NO2/c1-12(19)13-8-9-16(20-2)14-6-5-7-15(17(13)14)18-10-3-4-11-18/h8-9,15H,3-7,10-11H2,1-2H3
InChIKey
ZRHYOXCUPOMXIJ-UHFFFAOYSA-N
Compound name
1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 166.0
[M+Na]+ 296.16210 171.1
[M-H]- 272.16560 171.2
[M+NH4]+ 291.20670 183.5
[M+K]+ 312.13604 167.5
[M+H-H2O]+ 256.17014 158.2
[M+HCOO]- 318.17108 182.4
[M+CH3COO]- 332.18673 200.1
[M+Na-2H]- 294.14755 165.4
[M]+ 273.17233 163.0
[M]- 273.17343 163.0
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