CID 12208914

34172-98-0

Structural Information

Molecular Formula

C₁₀H₉NO₄

SMILES

COC1=CC2=C(C=C1)ON=C2CC(=O)O

InChI

InChI=1S/C10H9NO4/c1-14-6-2-3-9-7(4-6)8(11-15-9)5-10(12)13/h2-4H,5H2,1H3,(H,12,13)

InChIKey

RNSRRFHVEAJNEJ-UHFFFAOYSA-N

Compound name

2-(5-methoxy-1,2-benzoxazol-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 207.05316 Da
Monoisotopic Mass: 1.2
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]+	208.06044	140.4
[M+Na]+	230.04238	153.2
[M+NH4]+	225.08698	147.6
[M+K]+	246.01632	150.6
[M-H]-	206.04588	141.8
[M+Na-2H]-	228.02783	145.1
[M]+	207.05261	142.5
[M]-	207.05371	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe