CID 5382767

Nsc151020

Structural Information

Molecular Formula
C15H16O
SMILES
C1CCC(=O)/C(=C\C=C\C2=CC=CC=C2)/C1
InChI
InChI=1S/C15H16O/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-3,6-9,11H,4-5,10,12H2/b9-6+,14-11-
InChIKey
XFFXAUBIJLXWQS-OOTJYPRASA-N
Compound name
(2Z)-2-[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.12012 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12740 148.6
[M+Na]+ 235.10934 153.6
[M-H]- 211.11284 154.2
[M+NH4]+ 230.15394 166.9
[M+K]+ 251.08328 148.9
[M+H-H2O]+ 195.11738 141.5
[M+HCOO]- 257.11832 169.2
[M+CH3COO]- 271.13397 185.4
[M+Na-2H]- 233.09479 152.4
[M]+ 212.11957 143.2
[M]- 212.12067 143.2
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.