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]+ 250.216536 161.5
[M+Na]+ 272.198478 164.5
[M-H]- 248.201984 165.5
[M+NH4]+ 267.243083 180.1
[M+K]+ 288.172418 162.2
[M+H-H2O]+ 232.206520 154.4
[M+HCOO]- 294.207461 179.6
[M+CH3COO]- 308.223111 203.1
[M+Na-2H]- 270.183926 163.3
[M]+ 249.20871142 158.8
[M]- 249.20980858 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

literature stripe

Patent stripe

patents stripe