CID 3018711

77344-61-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

literature stripe

Patent stripe

patents stripe