CID 135650096

1160246-15-0

Structural Information

Molecular Formula

C₁₀H₈N₂O₄

SMILES

C1CC1C2=NOC3=C2C(=CC(=O)N3)C(=O)O

InChI

InChI=1S/C10H8N2O4/c13-6-3-5(10(14)15)7-8(4-1-2-4)12-16-9(7)11-6/h3-4H,1-2H2,(H,11,13)(H,14,15)

InChIKey

DBKMWQSRPPIHOQ-UHFFFAOYSA-N

Compound name

3-cyclopropyl-6-oxo-7H-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 220.0484 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.055676	146.8
[M+Na]+	243.037618	160.0
[M-H]-	219.041124	151.9
[M+NH4]+	238.082223	158.3
[M+K]+	259.011558	155.3
[M+H-H2O]+	203.045660	140.2
[M+HCOO]-	265.046601	166.8
[M+CH3COO]-	279.062251	159.7
[M+Na-2H]-	241.023066	152.3
[M]+	220.04785142	152.0
[M]-	220.04894858	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe