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

0
Patents

285.20926 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.21654 171.1
[M+Na]+ 308.19848 176.6
[M-H]- 284.20198 176.2
[M+NH4]+ 303.24308 186.8
[M+K]+ 324.17242 171.7
[M+H-H2O]+ 268.20652 162.5
[M+HCOO]- 330.20746 185.2
[M+CH3COO]- 344.22311 206.1
[M+Na-2H]- 306.18393 170.9
[M]+ 285.20871 166.5
[M]- 285.20981 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.