CID 6537447

Fenabutene

Structural Information

Molecular Formula
C12H14O2
SMILES
C/C=C(\C)/C1=CC=C(C=C1)OC(=O)C
InChI
InChI=1S/C12H14O2/c1-4-9(2)11-5-7-12(8-6-11)14-10(3)13/h4-8H,1-3H3/b9-4+
InChIKey
SALPXBRLSNRTNE-RUDMXATFSA-N
Compound name
[4-[(E)-but-2-en-2-yl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

190.09938 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 141.3
[M+Na]+ 213.08860 148.7
[M-H]- 189.09210 145.1
[M+NH4]+ 208.13320 161.2
[M+K]+ 229.06254 146.9
[M+H-H2O]+ 173.09664 135.6
[M+HCOO]- 235.09758 163.9
[M+CH3COO]- 249.11323 184.2
[M+Na-2H]- 211.07405 144.9
[M]+ 190.09883 142.8
[M]- 190.09993 142.8
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.