CID 33788420

2-(prop-2-yn-1-yloxy)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H7NO3
SMILES
C#CCOC1=C(C=CC=N1)C(=O)O
InChI
InChI=1S/C9H7NO3/c1-2-6-13-8-7(9(11)12)4-3-5-10-8/h1,3-5H,6H2,(H,11,12)
InChIKey
QRHLPARKJBIUDQ-UHFFFAOYSA-N
Compound name
2-prop-2-ynoxypyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.04259 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.049866 135.3
[M+Na]+ 200.031808 145.4
[M-H]- 176.035314 134.9
[M+NH4]+ 195.076413 151.1
[M+K]+ 216.005748 142.3
[M+H-H2O]+ 160.039850 122.8
[M+HCOO]- 222.040791 151.3
[M+CH3COO]- 236.056441 185.4
[M+Na-2H]- 198.017256 140.1
[M]+ 177.04204142 130.8
[M]- 177.04313858 130.8
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

No patent data available for this compound.