CID 22175907

Ethyl 2-[(cyclopropylmethyl)amino]acetate

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CCOC(=O)CNCC1CC1

InChI

InChI=1S/C8H15NO2/c1-2-11-8(10)6-9-5-7-3-4-7/h7,9H,2-6H2,1H3

InChIKey

BFFAICONXNLADT-UHFFFAOYSA-N

Compound name

ethyl 2-(cyclopropylmethylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 157.11028 Da
Monoisotopic Mass: 0.8
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]+	158.117556	134.8
[M+Na]+	180.099498	142.4
[M-H]-	156.103004	139.2
[M+NH4]+	175.144103	150.7
[M+K]+	196.073438	140.8
[M+H-H2O]+	140.107540	128.6
[M+HCOO]-	202.108481	159.0
[M+CH3COO]-	216.124131	183.0
[M+Na-2H]-	178.084946	140.4
[M]+	157.10973142	138.7
[M]-	157.11082858	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe