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

32
Patents

204.15141 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 146.8
[M+Na]+ 227.140628 153.6
[M-H]- 203.144134 150.6
[M+NH4]+ 222.185233 166.4
[M+K]+ 243.114568 151.9
[M+H-H2O]+ 187.148670 141.3
[M+HCOO]- 249.149611 167.2
[M+CH3COO]- 263.165261 192.5
[M+Na-2H]- 225.126076 147.5
[M]+ 204.15086142 148.3
[M]- 204.15195858 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