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 175.2
[M+Na]+ 324.19342 179.3
[M-H]- 300.19692 180.0
[M+NH4]+ 319.23802 191.5
[M+K]+ 340.16736 175.3
[M+H-H2O]+ 284.20146 166.9
[M+HCOO]- 346.20240 190.8
[M+CH3COO]- 360.21805 206.0
[M+Na-2H]- 322.17887 173.5
[M]+ 301.20365 172.9
[M]- 301.20475 172.9
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.