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]+ 226.21654 159.2
[M+Na]+ 248.19848 162.1
[M-H]- 224.20198 162.8
[M+NH4]+ 243.24308 179.4
[M+K]+ 264.17242 161.7
[M+H-H2O]+ 208.20652 153.2
[M+HCOO]- 270.20746 179.2
[M+CH3COO]- 284.22311 197.9
[M+Na-2H]- 246.18393 159.6
[M]+ 225.20871 158.9
[M]- 225.20981 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.