CID 734008

1-[4-(propan-2-yloxy)phenyl]ethan-1-one

Structural Information

Molecular Formula
C11H14O2
SMILES
CC(C)OC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C11H14O2/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-8H,1-3H3
InChIKey
YTKFPAFKJWBAFG-UHFFFAOYSA-N
Compound name
1-(4-propan-2-yloxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

178.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 137.7
[M+Na]+ 201.08860 145.0
[M-H]- 177.09210 141.6
[M+NH4]+ 196.13320 158.0
[M+K]+ 217.06254 144.1
[M+H-H2O]+ 161.09664 132.1
[M+HCOO]- 223.09758 160.4
[M+CH3COO]- 237.11323 183.4
[M+Na-2H]- 199.07405 141.8
[M]+ 178.09883 139.7
[M]- 178.09993 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe