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

0
Patents

273.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.180156 166.0
[M+Na]+ 296.162098 171.1
[M-H]- 272.165604 171.2
[M+NH4]+ 291.206703 183.5
[M+K]+ 312.136038 167.5
[M+H-H2O]+ 256.170140 158.2
[M+HCOO]- 318.171081 182.4
[M+CH3COO]- 332.186731 200.1
[M+Na-2H]- 294.147546 165.4
[M]+ 273.17233142 163.0
[M]- 273.17342858 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