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]+ 294.27913 180.7
[M+Na]+ 316.26107 180.1
[M-H]- 292.26457 186.5
[M+NH4]+ 311.30567 199.1
[M+K]+ 332.23501 179.1
[M+H-H2O]+ 276.26911 173.9
[M+HCOO]- 338.27005 197.3
[M+CH3COO]- 352.28570 210.2
[M+Na-2H]- 314.24652 175.5
[M]+ 293.27130 176.9
[M]- 293.27240 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.