CID 17538

Glycine, n,n-diisobutyl-, ethyl ester

Structural Information

Molecular Formula

C₁₂H₂₅NO₂

SMILES

CCOC(=O)CN(CC(C)C)CC(C)C

InChI

InChI=1S/C12H25NO2/c1-6-15-12(14)9-13(7-10(2)3)8-11(4)5/h10-11H,6-9H2,1-5H3

InChIKey

RUANENNXSBNRIP-UHFFFAOYSA-N

Compound name

ethyl 2-[bis(2-methylpropyl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 215.18852 Da
Monoisotopic Mass: 3.2
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]+	216.195796	156.4
[M+Na]+	238.177738	160.2
[M-H]-	214.181244	157.4
[M+NH4]+	233.222343	175.5
[M+K]+	254.151678	161.5
[M+H-H2O]+	198.185780	150.4
[M+HCOO]-	260.186721	177.5
[M+CH3COO]-	274.202371	198.6
[M+Na-2H]-	236.163186	156.0
[M]+	215.18797142	160.6
[M]-	215.18906858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe