CID 59615384

14186-52-8

Structural Information

Molecular Formula

C₁₁H₁₃NO₄

SMILES

CC1=C(C=CC(=C1N)C(=O)OC)C(=O)OC

InChI

InChI=1S/C11H13NO4/c1-6-7(10(13)15-2)4-5-8(9(6)12)11(14)16-3/h4-5H,12H2,1-3H3

InChIKey

QAFWKEDPMYHBGU-UHFFFAOYSA-N

Compound name

dimethyl 2-amino-3-methylbenzene-1,4-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 223.08446 Da
Monoisotopic Mass: 1.9
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]+	224.09174	148.1
[M+Na]+	246.07368	158.7
[M+NH4]+	241.11828	154.2
[M+K]+	262.04762	155.0
[M-H]-	222.07718	148.6
[M+Na-2H]-	244.05913	152.1
[M]+	223.08391	149.4
[M]-	223.08501	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe