CID 3048234

Naphthalene, 8-isobutyryl-5-methoxy-1-(1-pyrrolidinyl)-1,2,3,4-tetrahydro-, hydrochloride

Structural Information

Molecular Formula
C19H27NO2
SMILES
CC(C)C(=O)C1=C2C(CCCC2=C(C=C1)OC)N3CCCC3
InChI
InChI=1S/C19H27NO2/c1-13(2)19(21)15-9-10-17(22-3)14-7-6-8-16(18(14)15)20-11-4-5-12-20/h9-10,13,16H,4-8,11-12H2,1-3H3
InChIKey
OHYOTDQWAQAQGE-UHFFFAOYSA-N
Compound name
1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.2042 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.21148 175.1
[M+Na]+ 324.19342 178.9
[M-H]- 300.19692 180.0
[M+NH4]+ 319.23802 191.3
[M+K]+ 340.16736 175.5
[M+H-H2O]+ 284.20146 167.1
[M+HCOO]- 346.20240 189.7
[M+CH3COO]- 360.21805 206.9
[M+Na-2H]- 322.17887 172.3
[M]+ 301.20365 172.2
[M]- 301.20475 172.2
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.