CID 230358

Methyl 5-acetamido-2-methylbenzoate

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

CC1=C(C=C(C=C1)NC(=O)C)C(=O)OC

InChI

InChI=1S/C11H13NO3/c1-7-4-5-9(12-8(2)13)6-10(7)11(14)15-3/h4-6H,1-3H3,(H,12,13)

InChIKey

RFSDXBQPVJXKRJ-UHFFFAOYSA-N

Compound name

methyl 5-acetamido-2-methylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 207.08954 Da
Monoisotopic Mass: 1.3
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]+	208.09682	145.2
[M+Na]+	230.07876	156.3
[M+NH4]+	225.12336	152.1
[M+K]+	246.05270	151.6
[M-H]-	206.08226	146.5
[M+Na-2H]-	228.06421	150.4
[M]+	207.08899	146.9
[M]-	207.09009	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe