CID 124706082

2089246-41-1

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

COC(=O)[C@H]1[C@H](CCO1)CN

InChI

InChI=1S/C7H13NO3/c1-10-7(9)6-5(4-8)2-3-11-6/h5-6H,2-4,8H2,1H3/t5-,6-/m1/s1

InChIKey

KTUOYOBLGIOGLU-PHDIDXHHSA-N

Compound name

methyl (2R,3R)-3-(aminomethyl)oxolane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 159.08954 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]+	160.09682	134.0
[M+Na]+	182.07876	141.9
[M+NH4]+	177.12336	141.1
[M+K]+	198.05270	140.3
[M-H]-	158.08226	135.5
[M+Na-2H]-	180.06421	136.1
[M]+	159.08899	135.0
[M]-	159.09009	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe