CID 43504342

1-[3-(prop-2-yn-1-yloxy)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C11H12O2
SMILES
CC(C1=CC(=CC=C1)OCC#C)O
InChI
InChI=1S/C11H12O2/c1-3-7-13-11-6-4-5-10(8-11)9(2)12/h1,4-6,8-9,12H,7H2,2H3
InChIKey
PJLJMVVTKIIUES-UHFFFAOYSA-N
Compound name
1-(3-prop-2-ynoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 137.4
[M+Na]+ 199.07294 149.4
[M+NH4]+ 194.11754 142.0
[M+K]+ 215.04688 140.5
[M-H]- 175.07644 130.9
[M+Na-2H]- 197.05839 140.7
[M]+ 176.08317 136.4
[M]- 176.08427 136.4
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.