CID 106803

Bicyclo[3.1.0]hexan-3-one, 2-[(4-methoxyphenyl)methylene]-4-methyl-1-(1-methylethyl)-

Structural Information

Molecular Formula
C18H22O2
SMILES
CC1C2CC2(C(=CC3=CC=C(C=C3)OC)C1=O)C(C)C
InChI
InChI=1S/C18H22O2/c1-11(2)18-10-16(18)12(3)17(19)15(18)9-13-5-7-14(20-4)8-6-13/h5-9,11-12,16H,10H2,1-4H3
InChIKey
FUCFYAOLAKHLBH-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methylidene]-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

270.162 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16928 161.9
[M+Na]+ 293.15122 172.2
[M-H]- 269.15472 170.5
[M+NH4]+ 288.19582 178.8
[M+K]+ 309.12516 167.6
[M+H-H2O]+ 253.15926 156.9
[M+HCOO]- 315.16020 182.0
[M+CH3COO]- 329.17585 203.7
[M+Na-2H]- 291.13667 162.9
[M]+ 270.16145 166.8
[M]- 270.16255 166.8
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.