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 129.0
[M+Na]+ 169.02599 140.8
[M-H]- 145.02949 130.8
[M+NH4]+ 164.07059 147.9
[M+K]+ 184.99993 136.6
[M+H-H2O]+ 129.03403 118.4
[M+HCOO]- 191.03497 147.2
[M+CH3COO]- 205.05062 181.5
[M+Na-2H]- 167.01144 134.5
[M]+ 146.03622 124.0
[M]- 146.03732 124.0
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.