CID 613599

35684-12-9

Structural Information

Molecular Formula
C19H20O
SMILES
CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)OC
InChI
InChI=1S/C19H20O/c1-3-4-5-16-6-8-17(9-7-16)10-11-18-12-14-19(20-2)15-13-18/h6-9,12-15H,3-5H2,1-2H3
InChIKey
QTVHHOAFERRCDG-UHFFFAOYSA-N
Compound name
1-butyl-4-[2-(4-methoxyphenyl)ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

264.15143 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15871 165.4
[M+Na]+ 287.14065 175.3
[M-H]- 263.14415 169.5
[M+NH4]+ 282.18525 180.3
[M+K]+ 303.11459 167.7
[M+H-H2O]+ 247.14869 152.0
[M+HCOO]- 309.14963 182.7
[M+CH3COO]- 323.16528 204.7
[M+Na-2H]- 285.12610 168.2
[M]+ 264.15088 161.9
[M]- 264.15198 161.9
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