CID 3952083

1-ethyl-4-[2-(4-methoxyphenyl)ethynyl]benzene

Structural Information

Molecular Formula
C17H16O
SMILES
CCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)OC
InChI
InChI=1S/C17H16O/c1-3-14-4-6-15(7-5-14)8-9-16-10-12-17(18-2)13-11-16/h4-7,10-13H,3H2,1-2H3
InChIKey
YWDALJMLXXWXFP-UHFFFAOYSA-N
Compound name
1-ethyl-4-[2-(4-methoxyphenyl)ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

236.12012 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.127396 157.4
[M+Na]+ 259.109338 168.0
[M-H]- 235.112844 161.8
[M+NH4]+ 254.153943 173.4
[M+K]+ 275.083278 161.0
[M+H-H2O]+ 219.117380 144.4
[M+HCOO]- 281.118321 175.3
[M+CH3COO]- 295.133971 199.3
[M+Na-2H]- 257.094786 161.2
[M]+ 236.11957142 153.2
[M]- 236.12066858 153.2
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

patents stripe