CID 10877410

3182-87-4

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CCOC(=O)CNCC(C)C

InChI

InChI=1S/C8H17NO2/c1-4-11-8(10)6-9-5-7(2)3/h7,9H,4-6H2,1-3H3

InChIKey

XJBLZCHTARFLLD-UHFFFAOYSA-N

Compound name

ethyl 2-(2-methylpropylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 159.12593 Da
Monoisotopic Mass: 1.4
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]+	160.133206	138.0
[M+Na]+	182.115148	143.4
[M-H]-	158.118654	138.1
[M+NH4]+	177.159753	158.7
[M+K]+	198.089088	143.9
[M+H-H2O]+	142.123190	132.7
[M+HCOO]-	204.124131	160.9
[M+CH3COO]-	218.139781	182.1
[M+Na-2H]-	180.100596	141.6
[M]+	159.12538142	140.0
[M]-	159.12647858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe