CID 30301

Acetophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC(C)N(CCOC1=CC=CC=C1C(=O)C)C(C)C
InChI
InChI=1S/C16H25NO2/c1-12(2)17(13(3)4)10-11-19-16-9-7-6-8-15(16)14(5)18/h6-9,12-13H,10-11H2,1-5H3
InChIKey
OCSWPHYTNUPZIC-UHFFFAOYSA-N
Compound name
1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.18854 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 165.7
[M+Na]+ 286.177758 169.8
[M-H]- 262.181264 170.0
[M+NH4]+ 281.222363 182.6
[M+K]+ 302.151698 169.5
[M+H-H2O]+ 246.185800 158.4
[M+HCOO]- 308.186741 187.1
[M+CH3COO]- 322.202391 207.7
[M+Na-2H]- 284.163206 165.2
[M]+ 263.18799142 169.3
[M]- 263.18908858 169.3
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.