CID 83932836

1-(but-3-yn-1-yl)-4-(propan-2-yloxy)benzene

Structural Information

Molecular Formula
C13H16O
SMILES
CC(C)OC1=CC=C(C=C1)CCC#C
InChI
InChI=1S/C13H16O/c1-4-5-6-12-7-9-13(10-8-12)14-11(2)3/h1,7-11H,5-6H2,2-3H3
InChIKey
FEKFXQWKQQQZLP-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-4-propan-2-yloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.12012 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 142.0
[M+Na]+ 211.10934 154.6
[M+NH4]+ 206.15394 147.2
[M+K]+ 227.08328 144.5
[M-H]- 187.11284 136.4
[M+Na-2H]- 209.09479 145.8
[M]+ 188.11957 141.5
[M]- 188.12067 141.5
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.