CID 216432

94386-46-6

Structural Information

Molecular Formula
C14H18O
SMILES
CCC=C(C)CC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C14H18O/c1-4-5-11(2)10-13-6-8-14(9-7-13)12(3)15/h5-9H,4,10H2,1-3H3
InChIKey
JYKPODDVWQNCRG-UHFFFAOYSA-N
Compound name
1-[4-(2-methylpent-2-enyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.13577 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.143046 147.1
[M+Na]+ 225.124988 153.6
[M-H]- 201.128494 150.5
[M+NH4]+ 220.169593 166.5
[M+K]+ 241.098928 150.7
[M+H-H2O]+ 185.133030 141.2
[M+HCOO]- 247.133971 168.7
[M+CH3COO]- 261.149621 188.9
[M+Na-2H]- 223.110436 149.6
[M]+ 202.13522142 148.0
[M]- 202.13631858 148.0
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.