CID 1235415

34172-93-5

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

CC1=C2C(=CC=C1)C(=NO2)CC(=O)O

InChI

InChI=1S/C10H9NO3/c1-6-3-2-4-7-8(5-9(12)13)11-14-10(6)7/h2-4H,5H2,1H3,(H,12,13)

InChIKey

ZIDJLIJDLKCTSV-UHFFFAOYSA-N

Compound name

2-(7-methyl-1,2-benzoxazol-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 17
Patents: 191.05824 Da
Monoisotopic Mass: 1.6
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]+	192.06552	137.2
[M+Na]+	214.04746	150.5
[M+NH4]+	209.09206	145.0
[M+K]+	230.02140	147.4
[M-H]-	190.05096	139.1
[M+Na-2H]-	212.03291	142.4
[M]+	191.05769	139.6
[M]-	191.05879	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe