CID 43242689

1040688-74-1

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

COC(=O)CCNCC1CCCO1

InChI

InChI=1S/C9H17NO3/c1-12-9(11)4-5-10-7-8-3-2-6-13-8/h8,10H,2-7H2,1H3

InChIKey

AKQVSTFBBJAHGJ-UHFFFAOYSA-N

Compound name

methyl 3-(oxolan-2-ylmethylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 187.12085 Da
Monoisotopic Mass: 0.0
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]+	188.12813	143.1
[M+Na]+	210.11007	147.4
[M-H]-	186.11357	146.3
[M+NH4]+	205.15467	162.6
[M+K]+	226.08401	148.3
[M+H-H2O]+	170.11811	137.1
[M+HCOO]-	232.11905	165.4
[M+CH3COO]-	246.13470	182.3
[M+Na-2H]-	208.09552	147.1
[M]+	187.12030	143.5
[M]-	187.12140	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe