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

199
Patents

236.12012 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12740 157.4
[M+Na]+ 259.10934 168.0
[M-H]- 235.11284 161.8
[M+NH4]+ 254.15394 173.4
[M+K]+ 275.08328 161.0
[M+H-H2O]+ 219.11738 144.4
[M+HCOO]- 281.11832 175.3
[M+CH3COO]- 295.13397 199.3
[M+Na-2H]- 257.09479 161.2
[M]+ 236.11957 153.2
[M]- 236.12067 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