CID 30293

Isovalerophenone, 2'-(2-(diethylamino)ethoxy)-, hydrochloride

Structural Information

Molecular Formula
C17H27NO2
SMILES
CCN(CC)CCOC1=CC=CC=C1C(=O)CC(C)C
InChI
InChI=1S/C17H27NO2/c1-5-18(6-2)11-12-20-17-10-8-7-9-15(17)16(19)13-14(3)4/h7-10,14H,5-6,11-13H2,1-4H3
InChIKey
RAVATXSDFAWWEX-UHFFFAOYSA-N
Compound name
1-[2-[2-(diethylamino)ethoxy]phenyl]-3-methylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.2042 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.211476 170.5
[M+Na]+ 300.193418 174.4
[M-H]- 276.196924 174.5
[M+NH4]+ 295.238023 187.0
[M+K]+ 316.167358 173.4
[M+H-H2O]+ 260.201460 162.9
[M+HCOO]- 322.202401 192.6
[M+CH3COO]- 336.218051 209.7
[M+Na-2H]- 298.178866 170.7
[M]+ 277.20365142 175.2
[M]- 277.20474858 175.2
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.