CID 775704

299928-38-4

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

CC1=CC(=C(C=C1)N(CC(=O)O)C(=O)C)C

InChI

InChI=1S/C12H15NO3/c1-8-4-5-11(9(2)6-8)13(10(3)14)7-12(15)16/h4-6H,7H2,1-3H3,(H,15,16)

InChIKey

DCXXJSWRJFQZBR-UHFFFAOYSA-N

Compound name

2-(N-acetyl-2,4-dimethylanilino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.1052 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]+	222.112476	148.3
[M+Na]+	244.094418	155.2
[M-H]-	220.097924	152.3
[M+NH4]+	239.139023	166.5
[M+K]+	260.068358	154.5
[M+H-H2O]+	204.102460	142.1
[M+HCOO]-	266.103401	171.0
[M+CH3COO]-	280.119051	194.0
[M+Na-2H]-	242.079866	150.2
[M]+	221.10465142	150.3
[M]-	221.10574858	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.