CID 170915189

2-ethynyl-4-hydroxybenzaldehyde

Structural Information

Molecular Formula
C9H6O2
SMILES
C#CC1=C(C=CC(=C1)O)C=O
InChI
InChI=1S/C9H6O2/c1-2-7-5-9(11)4-3-8(7)6-10/h1,3-6,11H
InChIKey
SECDZKWARIPDQW-UHFFFAOYSA-N
Compound name
2-ethynyl-4-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.03677 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.04405 127.9
[M+Na]+ 169.02599 141.0
[M+NH4]+ 164.07059 132.7
[M+K]+ 184.99993 131.9
[M-H]- 145.02949 121.5
[M+Na-2H]- 167.01144 131.8
[M]+ 146.03622 127.1
[M]- 146.03732 127.1
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.