CID 13670223

96804-13-6

Structural Information

Molecular Formula

C₁₀H₁₉N₃O₅

SMILES

CNC(=O)N(C(CC(=O)OC)C(=O)OC)N(C)C

InChI

InChI=1S/C10H19N3O5/c1-11-10(16)13(12(2)3)7(9(15)18-5)6-8(14)17-4/h7H,6H2,1-5H3,(H,11,16)

InChIKey

VAXDAARISXUACJ-UHFFFAOYSA-N

Compound name

dimethyl 2-[dimethylamino(methylcarbamoyl)amino]butanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 261.13248 Da
Monoisotopic Mass: -0.4
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]+	262.139756	160.2
[M+Na]+	284.121698	163.5
[M-H]-	260.125204	163.0
[M+NH4]+	279.166303	176.9
[M+K]+	300.095638	167.9
[M+H-H2O]+	244.129740	153.0
[M+HCOO]-	306.130681	184.6
[M+CH3COO]-	320.146331	209.6
[M+Na-2H]-	282.107146	159.7
[M]+	261.13193142	165.3
[M]-	261.13302858	165.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe