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

8
Patents

205.0375 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04478 143.4
[M+Na]+ 228.02672 153.1
[M+NH4]+ 223.07132 145.6
[M+K]+ 244.00066 146.7
[M-H]- 204.03022 135.1
[M+Na-2H]- 226.01217 144.3
[M]+ 205.03695 141.2
[M]- 205.03805 141.2
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