CID 199228

Brn 2720375

Structural Information

Molecular Formula
C14H27NO
SMILES
CC(C)(CCC(=O)C1CCCC1)CN(C)C
InChI
InChI=1S/C14H27NO/c1-14(2,11-15(3)4)10-9-13(16)12-7-5-6-8-12/h12H,5-11H2,1-4H3
InChIKey
OLDDOPCJXHXNJO-UHFFFAOYSA-N
Compound name
1-cyclopentyl-5-(dimethylamino)-4,4-dimethylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.20926 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.216536 159.2
[M+Na]+ 248.198478 162.1
[M-H]- 224.201984 162.8
[M+NH4]+ 243.243083 179.4
[M+K]+ 264.172418 161.7
[M+H-H2O]+ 208.206520 153.2
[M+HCOO]- 270.207461 179.2
[M+CH3COO]- 284.223111 197.9
[M+Na-2H]- 246.183926 159.6
[M]+ 225.20871142 158.9
[M]- 225.20980858 158.9
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.