CID 11288137

256474-06-3

Structural Information

Molecular Formula
C16H27NO
SMILES
CCCN(CCC)C1CCC2=C(C1)CCCC2=O
InChI
InChI=1S/C16H27NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h14H,3-12H2,1-2H3
InChIKey
JTYVLKBMXTUORS-UHFFFAOYSA-N
Compound name
6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

16
Patents

249.20926 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.21654 161.5
[M+Na]+ 272.19848 164.5
[M-H]- 248.20198 165.5
[M+NH4]+ 267.24308 180.1
[M+K]+ 288.17242 162.2
[M+H-H2O]+ 232.20652 154.4
[M+HCOO]- 294.20746 179.6
[M+CH3COO]- 308.22311 203.1
[M+Na-2H]- 270.18393 163.3
[M]+ 249.20871 158.8
[M]- 249.20981 158.8
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.