CID 42656843

66116-20-9

Structural Information

Molecular Formula

C₁₀H₂₁NO₃

SMILES

CC(C)(C)OC(=O)CCNCCOC

InChI

InChI=1S/C10H21NO3/c1-10(2,3)14-9(12)5-6-11-7-8-13-4/h11H,5-8H2,1-4H3

InChIKey

QWKSWHYKNGQDPQ-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-methoxyethylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 203.15215 Da
Monoisotopic Mass: 0.5
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]+	204.15943	149.3
[M+Na]+	226.14137	154.6
[M-H]-	202.14487	149.3
[M+NH4]+	221.18597	168.5
[M+K]+	242.11531	155.0
[M+H-H2O]+	186.14941	144.1
[M+HCOO]-	248.15035	171.3
[M+CH3COO]-	262.16600	188.9
[M+Na-2H]-	224.12682	154.0
[M]+	203.15160	153.7
[M]-	203.15270	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe