CID 16504

1-[2-(propan-2-yl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C11H14O
SMILES
CC(C)C1=CC=CC=C1C(=O)C
InChI
InChI=1S/C11H14O/c1-8(2)10-6-4-5-7-11(10)9(3)12/h4-8H,1-3H3
InChIKey
YKILJGWOUPELQS-UHFFFAOYSA-N
Compound name
1-(2-propan-2-ylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

242
Patents

162.10446 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 134.2
[M+Na]+ 185.093678 141.6
[M-H]- 161.097184 138.1
[M+NH4]+ 180.138283 155.2
[M+K]+ 201.067618 140.1
[M+H-H2O]+ 145.101720 128.9
[M+HCOO]- 207.102661 156.6
[M+CH3COO]- 221.118311 181.4
[M+Na-2H]- 183.079126 138.4
[M]+ 162.10391142 134.8
[M]- 162.10500858 134.8
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