CID 3024286

Ethanone, 1-[3,4-bis(1-methylethyl)phenyl]-

Structural Information

Molecular Formula
C14H20O
SMILES
CC(C)C1=C(C=C(C=C1)C(=O)C)C(C)C
InChI
InChI=1S/C14H20O/c1-9(2)13-7-6-12(11(5)15)8-14(13)10(3)4/h6-10H,1-5H3
InChIKey
ZDINBUUATIMDHJ-UHFFFAOYSA-N
Compound name
1-[3,4-di(propan-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

204.15141 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 146.8
[M+Na]+ 227.14063 153.6
[M-H]- 203.14413 150.6
[M+NH4]+ 222.18523 166.4
[M+K]+ 243.11457 151.9
[M+H-H2O]+ 187.14867 141.3
[M+HCOO]- 249.14961 167.2
[M+CH3COO]- 263.16526 192.5
[M+Na-2H]- 225.12608 147.5
[M]+ 204.15086 148.3
[M]- 204.15196 148.3
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

patents stripe