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 147.0
[M+Na]+ 228.02672 156.3
[M-H]- 204.03022 147.1
[M+NH4]+ 223.07132 162.2
[M+K]+ 244.00066 152.9
[M+H-H2O]+ 188.03476 135.4
[M+HCOO]- 250.03570 162.8
[M+CH3COO]- 264.05135 190.6
[M+Na-2H]- 226.01217 148.8
[M]+ 205.03695 140.3
[M]- 205.03805 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