CID 13670202

96804-68-1

Structural Information

Molecular Formula

C₉H₁₉N₃O₃

SMILES

CC(CN(C(=O)NC)N(C)C)C(=O)OC

InChI

InChI=1S/C9H19N3O3/c1-7(8(13)15-5)6-12(11(3)4)9(14)10-2/h7H,6H2,1-5H3,(H,10,14)

InChIKey

JYIZWQRMQMCBOT-UHFFFAOYSA-N

Compound name

methyl 3-[dimethylamino(methylcarbamoyl)amino]-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.14264 Da
Monoisotopic Mass: 0.2
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]+	218.14992	152.5
[M+Na]+	240.13186	156.2
[M-H]-	216.13536	155.4
[M+NH4]+	235.17646	171.2
[M+K]+	256.10580	159.8
[M+H-H2O]+	200.13990	145.6
[M+HCOO]-	262.14084	177.5
[M+CH3COO]-	276.15649	202.9
[M+Na-2H]-	238.11731	153.3
[M]+	217.14209	155.7
[M]-	217.14319	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe