CID 3048239

63886-35-1

Structural Information

Molecular Formula
C18H25NO2
SMILES
CCC(=O)C1=C2C(CCCC2=C(C=C1)OC)N3CCCC3
InChI
InChI=1S/C18H25NO2/c1-3-16(20)13-9-10-17(21-2)14-7-6-8-15(18(13)14)19-11-4-5-12-19/h9-10,15H,3-8,11-12H2,1-2H3
InChIKey
UZRVWTXAONNQGS-UHFFFAOYSA-N
Compound name
1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.18854 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.19582 170.6
[M+Na]+ 310.17776 175.2
[M-H]- 286.18126 175.6
[M+NH4]+ 305.22236 187.5
[M+K]+ 326.15170 171.4
[M+H-H2O]+ 270.18580 162.6
[M+HCOO]- 332.18674 186.6
[M+CH3COO]- 346.20239 203.0
[M+Na-2H]- 308.16321 169.4
[M]+ 287.18799 167.9
[M]- 287.18909 167.9
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.