CID 30299

Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride

Structural Information

Molecular Formula
C17H27NO2
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C(=O)CC(C)C
InChI
InChI=1S/C17H27NO2/c1-5-18(6-2)11-12-20-16-9-7-15(8-10-16)17(19)13-14(3)4/h7-10,14H,5-6,11-13H2,1-4H3
InChIKey
VSASBFKJVZJKBS-UHFFFAOYSA-N
Compound name
1-[4-[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]+ 278.21148 170.5
[M+Na]+ 300.19342 174.4
[M-H]- 276.19692 174.5
[M+NH4]+ 295.23802 187.0
[M+K]+ 316.16736 173.4
[M+H-H2O]+ 260.20146 162.9
[M+HCOO]- 322.20240 192.6
[M+CH3COO]- 336.21805 209.7
[M+Na-2H]- 298.17887 170.7
[M]+ 277.20365 175.2
[M]- 277.20475 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.