CID 3048274

63886-62-4

Structural Information

Molecular Formula
C19H27NO2
SMILES
CCCC(=O)C1=C2C(CCCC2=C(C=C1)OC)N3CCCC3
InChI
InChI=1S/C19H27NO2/c1-3-7-17(21)14-10-11-18(22-2)15-8-6-9-16(19(14)15)20-12-4-5-13-20/h10-11,16H,3-9,12-13H2,1-2H3
InChIKey
IQTMKWATYXBYSF-UHFFFAOYSA-N
Compound name
1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.2042 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.21148 174.8
[M+Na]+ 324.19342 185.6
[M+NH4]+ 319.23802 183.1
[M+K]+ 340.16736 179.9
[M-H]- 300.19692 178.1
[M+Na-2H]- 322.17887 178.7
[M]+ 301.20365 177.1
[M]- 301.20475 177.1
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.