CID 11073569

3-(prop-2-yn-1-yloxy)phenol

Structural Information

Molecular Formula
C9H8O2
SMILES
C#CCOC1=CC=CC(=C1)O
InChI
InChI=1S/C9H8O2/c1-2-6-11-9-5-3-4-8(10)7-9/h1,3-5,7,10H,6H2
InChIKey
FTDMYZWKKGITHT-UHFFFAOYSA-N
Compound name
3-prop-2-ynoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

148.05243 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05971 129.9
[M+Na]+ 171.04165 140.5
[M-H]- 147.04515 131.2
[M+NH4]+ 166.08625 148.4
[M+K]+ 187.01559 136.8
[M+H-H2O]+ 131.04969 118.9
[M+HCOO]- 193.05063 147.8
[M+CH3COO]- 207.06628 181.3
[M+Na-2H]- 169.02710 136.0
[M]+ 148.05188 125.2
[M]- 148.05298 125.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe