CID 6446393

Brn 2265549

Structural Information

Molecular Formula
C16H20O2
SMILES
CC(C)(C)C(=O)/C=C/C1=CC=C(C=C1)OCC=C
InChI
InChI=1S/C16H20O2/c1-5-12-18-14-9-6-13(7-10-14)8-11-15(17)16(2,3)4/h5-11H,1,12H2,2-4H3/b11-8+
InChIKey
NSMLWCGAXJMLLI-DHZHZOJOSA-N
Compound name
(E)-4,4-dimethyl-1-(4-prop-2-enoxyphenyl)pent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.14633 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.15361 157.8
[M+Na]+ 267.13555 164.5
[M-H]- 243.13905 161.1
[M+NH4]+ 262.18015 175.6
[M+K]+ 283.10949 161.1
[M+H-H2O]+ 227.14359 152.0
[M+HCOO]- 289.14453 178.7
[M+CH3COO]- 303.16018 194.8
[M+Na-2H]- 265.12100 161.3
[M]+ 244.14578 160.3
[M]- 244.14688 160.3
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.