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]+ 191.10666 143.1
[M+Na]+ 213.08860 152.4
[M-H]- 189.09210 144.0
[M+NH4]+ 208.13320 160.1
[M+K]+ 229.06254 148.3
[M+H-H2O]+ 173.09664 131.6
[M+HCOO]- 235.09758 159.3
[M+CH3COO]- 249.11323 190.1
[M+Na-2H]- 211.07405 146.5
[M]+ 190.09883 138.8
[M]- 190.09993 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.