CID 71513992

4-ethynyl-n-hydroxybenzamide

Structural Information

Molecular Formula
C9H7NO2
SMILES
C#CC1=CC=C(C=C1)C(=O)NO
InChI
InChI=1S/C9H7NO2/c1-2-7-3-5-8(6-4-7)9(11)10-12/h1,3-6,12H,(H,10,11)
InChIKey
FAKCWSPFCGADPM-UHFFFAOYSA-N
Compound name
4-ethynyl-N-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

161.04768 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.054956 136.6
[M+Na]+ 184.036898 146.3
[M-H]- 160.040404 137.8
[M+NH4]+ 179.081503 154.2
[M+K]+ 200.010838 142.6
[M+H-H2O]+ 144.044940 125.1
[M+HCOO]- 206.045881 154.5
[M+CH3COO]- 220.061531 185.0
[M+Na-2H]- 182.022346 141.3
[M]+ 161.04713142 129.7
[M]- 161.04822858 129.7
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