CID 51862

4-(4-acetyl-1-naphthyloxy)-2-butyn-1-ol

Structural Information

Molecular Formula
C16H14O3
SMILES
CC(=O)C1=CC=C(C2=CC=CC=C21)OCC#CCO
InChI
InChI=1S/C16H14O3/c1-12(18)13-8-9-16(19-11-5-4-10-17)15-7-3-2-6-14(13)15/h2-3,6-9,17H,10-11H2,1H3
InChIKey
XPTOYYZVLAKUGB-UHFFFAOYSA-N
Compound name
1-[4-(4-hydroxybut-2-ynoxy)naphthalen-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 158.5
[M+Na]+ 277.08352 171.3
[M+NH4]+ 272.12812 162.7
[M+K]+ 293.05746 161.1
[M-H]- 253.08702 152.2
[M+Na-2H]- 275.06897 161.0
[M]+ 254.09375 157.7
[M]- 254.09485 157.7
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.