CID 43504555

1-[4-(prop-2-yn-1-yloxy)phenyl]propan-1-ol

Structural Information

Molecular Formula
C12H14O2
SMILES
CCC(C1=CC=C(C=C1)OCC#C)O
InChI
InChI=1S/C12H14O2/c1-3-9-14-11-7-5-10(6-8-11)12(13)4-2/h1,5-8,12-13H,4,9H2,2H3
InChIKey
RFNPHEQSIKBKNW-UHFFFAOYSA-N
Compound name
1-(4-prop-2-ynoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 143.1
[M+Na]+ 213.088598 152.4
[M-H]- 189.092104 144.0
[M+NH4]+ 208.133203 160.1
[M+K]+ 229.062538 148.3
[M+H-H2O]+ 173.096640 131.6
[M+HCOO]- 235.097581 159.3
[M+CH3COO]- 249.113231 190.1
[M+Na-2H]- 211.074046 146.5
[M]+ 190.09883142 138.8
[M]- 190.09992858 138.8
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.