CID 24694739

2-hydroxy-5-(prop-2-ynamido)benzoic acid

Structural Information

Molecular Formula
C10H7NO4
SMILES
C#CC(=O)NC1=CC(=C(C=C1)O)C(=O)O
InChI
InChI=1S/C10H7NO4/c1-2-9(13)11-6-3-4-8(12)7(5-6)10(14)15/h1,3-5,12H,(H,11,13)(H,14,15)
InChIKey
RYTDNWXQBQHPOO-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(prop-2-ynoylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.0375 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.044776 147.0
[M+Na]+ 228.026718 156.3
[M-H]- 204.030224 147.1
[M+NH4]+ 223.071323 162.2
[M+K]+ 244.000658 152.9
[M+H-H2O]+ 188.034760 135.4
[M+HCOO]- 250.035701 162.8
[M+CH3COO]- 264.051351 190.6
[M+Na-2H]- 226.012166 148.8
[M]+ 205.03695142 140.3
[M]- 205.03804858 140.3
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