CID 199227

3853-14-3

Structural Information

Molecular Formula
C19H35NO
SMILES
CC(C)(CCC(=O)C1CCCC1)C(C2CCCC2)N(C)C
InChI
InChI=1S/C19H35NO/c1-19(2,14-13-17(21)15-9-5-6-10-15)18(20(3)4)16-11-7-8-12-16/h15-16,18H,5-14H2,1-4H3
InChIKey
MJCRLUQNZXBHGU-UHFFFAOYSA-N
Compound name
1,5-dicyclopentyl-5-(dimethylamino)-4,4-dimethylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.27185 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.279126 180.7
[M+Na]+ 316.261068 180.1
[M-H]- 292.264574 186.5
[M+NH4]+ 311.305673 199.1
[M+K]+ 332.235008 179.1
[M+H-H2O]+ 276.269110 173.9
[M+HCOO]- 338.270051 197.3
[M+CH3COO]- 352.285701 210.2
[M+Na-2H]- 314.246516 175.5
[M]+ 293.27130142 176.9
[M]- 293.27239858 176.9
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.