CID 13306084

2(3h)-benzoxazolone, 6-ethyl-3-methyl-

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CCC1=CC2=C(C=C1)N(C(=O)O2)C

InChI

InChI=1S/C10H11NO2/c1-3-7-4-5-8-9(6-7)13-10(12)11(8)2/h4-6H,3H2,1-2H3

InChIKey

PUSZLJDKDNCRKR-UHFFFAOYSA-N

Compound name

6-ethyl-3-methyl-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 177.07898 Da
Monoisotopic Mass: 2.1
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]+	178.08626	132.5
[M+Na]+	200.06820	145.2
[M-H]-	176.07170	137.9
[M+NH4]+	195.11280	154.0
[M+K]+	216.04214	143.5
[M+H-H2O]+	160.07624	127.0
[M+HCOO]-	222.07718	157.4
[M+CH3COO]-	236.09283	180.8
[M+Na-2H]-	198.05365	140.6
[M]+	177.07843	138.4
[M]-	177.07953	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe