CID 137942932

2260936-06-7

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

COC(=O)CC1CC(OC1)CN

InChI

InChI=1S/C8H15NO3/c1-11-8(10)3-6-2-7(4-9)12-5-6/h6-7H,2-5,9H2,1H3

InChIKey

SEBASJYNWSBPGA-UHFFFAOYSA-N

Compound name

methyl 2-[5-(aminomethyl)oxolan-3-yl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.1052 Da
Monoisotopic Mass: -0.6
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]+	174.11248	138.4
[M+Na]+	196.09442	146.1
[M+NH4]+	191.13902	145.4
[M+K]+	212.06836	144.3
[M-H]-	172.09792	139.9
[M+Na-2H]-	194.07987	140.3
[M]+	173.10465	139.4
[M]-	173.10575	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.