CID 9391710

923258-65-5

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)O

InChI

InChI=1S/C11H10N2O3/c1-5-9-7(11(14)15)4-8(6-2-3-6)12-10(9)16-13-5/h4,6H,2-3H2,1H3,(H,14,15)

InChIKey

HAAOEAXJMWXUTF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 218.06914 Da
Monoisotopic Mass: 1.5
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]+	219.076416	149.1
[M+Na]+	241.058358	162.1
[M-H]-	217.061864	155.3
[M+NH4]+	236.102963	161.4
[M+K]+	257.032298	158.2
[M+H-H2O]+	201.066400	142.1
[M+HCOO]-	263.067341	169.8
[M+CH3COO]-	277.082991	162.3
[M+Na-2H]-	239.043806	154.4
[M]+	218.06859142	155.5
[M]-	218.06968858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe