CID 56753

N-695

Structural Information

Molecular Formula
C19H27NO
SMILES
CC1CC(C(=O)C2=C1C=C(C(=C2)C)C)CN3CCCCC3
InChI
InChI=1S/C19H27NO/c1-13-10-17-15(3)9-16(12-20-7-5-4-6-8-20)19(21)18(17)11-14(13)2/h10-11,15-16H,4-9,12H2,1-3H3
InChIKey
RYKLSNYWYWTVRM-UHFFFAOYSA-N
Compound name
4,6,7-trimethyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.20926 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.216536 171.1
[M+Na]+ 308.198478 176.6
[M-H]- 284.201984 176.2
[M+NH4]+ 303.243083 186.8
[M+K]+ 324.172418 171.7
[M+H-H2O]+ 268.206520 162.5
[M+HCOO]- 330.207461 185.2
[M+CH3COO]- 344.223111 206.1
[M+Na-2H]- 306.183926 170.9
[M]+ 285.20871142 166.5
[M]- 285.20980858 166.5
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.