CID 6366318

Einecs 300-601-0

Structural Information

Molecular Formula
C14H18O
SMILES
C/C=C/C(=O)C1=C(C=CC(=C1)C(C)C)C
InChI
InChI=1S/C14H18O/c1-5-6-14(15)13-9-12(10(2)3)8-7-11(13)4/h5-10H,1-4H3/b6-5+
InChIKey
LKGGURDBIFFQGN-AATRIKPKSA-N
Compound name
(E)-1-(2-methyl-5-propan-2-ylphenyl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

202.13577 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.143046 145.8
[M+Na]+ 225.124988 153.2
[M-H]- 201.128494 149.6
[M+NH4]+ 220.169593 165.5
[M+K]+ 241.098928 150.4
[M+H-H2O]+ 185.133030 140.2
[M+HCOO]- 247.133971 167.4
[M+CH3COO]- 261.149621 190.0
[M+Na-2H]- 223.110436 147.7
[M]+ 202.13522142 147.1
[M]- 202.13631858 147.1
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.