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]+ 271.169276 161.9
[M+Na]+ 293.151218 172.2
[M-H]- 269.154724 170.5
[M+NH4]+ 288.195823 178.8
[M+K]+ 309.125158 167.6
[M+H-H2O]+ 253.159260 156.9
[M+HCOO]- 315.160201 182.0
[M+CH3COO]- 329.175851 203.7
[M+Na-2H]- 291.136666 162.9
[M]+ 270.16145142 166.8
[M]- 270.16254858 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.