CID 130024600

4-ethynyl-2-hydroxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

146.03677 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.044046 129.0
[M+Na]+ 169.025988 140.8
[M-H]- 145.029494 130.8
[M+NH4]+ 164.070593 147.9
[M+K]+ 184.999928 136.6
[M+H-H2O]+ 129.034030 118.4
[M+HCOO]- 191.034971 147.2
[M+CH3COO]- 205.050621 181.5
[M+Na-2H]- 167.011436 134.5
[M]+ 146.03622142 124.0
[M]- 146.03731858 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

patents stripe