CID 95615

3488-51-5

Structural Information

Molecular Formula
C14H20O
SMILES
CC(C)C1=CC=C(C=C1)CC(C)C(=O)C
InChI
InChI=1S/C14H20O/c1-10(2)14-7-5-13(6-8-14)9-11(3)12(4)15/h5-8,10-11H,9H2,1-4H3
InChIKey
LJIOIEYRNGRXQS-UHFFFAOYSA-N
Compound name
3-methyl-4-(4-propan-2-ylphenyl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.15141 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 148.3
[M+Na]+ 227.140628 154.1
[M-H]- 203.144134 151.6
[M+NH4]+ 222.185233 167.5
[M+K]+ 243.114568 152.3
[M+H-H2O]+ 187.148670 142.4
[M+HCOO]- 249.149611 168.6
[M+CH3COO]- 263.165261 191.3
[M+Na-2H]- 225.126076 149.5
[M]+ 204.15086142 149.3
[M]- 204.15195858 149.3
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

No patent data available for this compound.