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
1
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]+ 203.14305 145.8
[M+Na]+ 225.12499 153.2
[M-H]- 201.12849 149.6
[M+NH4]+ 220.16959 165.5
[M+K]+ 241.09893 150.4
[M+H-H2O]+ 185.13303 140.2
[M+HCOO]- 247.13397 167.4
[M+CH3COO]- 261.14962 190.0
[M+Na-2H]- 223.11044 147.7
[M]+ 202.13522 147.1
[M]- 202.13632 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.