CID 211193

Brn 0787307

Structural Information

Molecular Formula
C14H28N2O2
SMILES
CCCC(CCC)C(=O)N1CCN(CC1)CCO
InChI
InChI=1S/C14H28N2O2/c1-3-5-13(6-4-2)14(18)16-9-7-15(8-10-16)11-12-17/h13,17H,3-12H2,1-2H3
InChIKey
FEVPERIWRQECQE-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-propylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.2151 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.22238 166.9
[M+Na]+ 279.20432 169.4
[M-H]- 255.20782 164.5
[M+NH4]+ 274.24892 180.3
[M+K]+ 295.17826 167.2
[M+H-H2O]+ 239.21236 158.9
[M+HCOO]- 301.21330 179.9
[M+CH3COO]- 315.22895 195.6
[M+Na-2H]- 277.18977 165.8
[M]+ 256.21455 164.7
[M]- 256.21565 164.7
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.