CID 22392094

4-(prop-2-yn-1-yl)phenol

Structural Information

Molecular Formula
C9H8O
SMILES
C#CCC1=CC=C(C=C1)O
InChI
InChI=1S/C9H8O/c1-2-3-8-4-6-9(10)7-5-8/h1,4-7,10H,3H2
InChIKey
DVGWZXQOLABSCQ-UHFFFAOYSA-N
Compound name
4-prop-2-ynylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

132.05751 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.064786 127.3
[M+Na]+ 155.046728 138.1
[M-H]- 131.050234 128.8
[M+NH4]+ 150.091333 146.6
[M+K]+ 171.020668 133.8
[M+H-H2O]+ 115.054770 116.6
[M+HCOO]- 177.055711 145.1
[M+CH3COO]- 191.071361 179.5
[M+Na-2H]- 153.032176 133.5
[M]+ 132.05696142 121.4
[M]- 132.05805858 121.4
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

patents stripe