CID 3016098

Dimethyl 4-dimethylaminophthalate

Structural Information

Molecular Formula

C₁₂H₁₅NO₄

SMILES

CN(C)C1=CC(=C(C=C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C12H15NO4/c1-13(2)8-5-6-9(11(14)16-3)10(7-8)12(15)17-4/h5-7H,1-4H3

InChIKey

IQMSCTLQIWAFDD-UHFFFAOYSA-N

Compound name

dimethyl 4-(dimethylamino)benzene-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 237.10011 Da
Monoisotopic Mass: 1.7
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]+	238.107386	150.6
[M+Na]+	260.089328	157.9
[M-H]-	236.092834	156.1
[M+NH4]+	255.133933	169.0
[M+K]+	276.063268	158.7
[M+H-H2O]+	220.097370	144.0
[M+HCOO]-	282.098311	175.1
[M+CH3COO]-	296.113961	197.9
[M+Na-2H]-	258.074776	153.1
[M]+	237.09956142	155.9
[M]-	237.10065858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe