CID 137943205

2287286-73-9

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

C1C(COC1CN)CC(=O)O

InChI

InChI=1S/C7H13NO3/c8-3-6-1-5(4-11-6)2-7(9)10/h5-6H,1-4,8H2,(H,9,10)

InChIKey

GVPBPGUPXLOORE-UHFFFAOYSA-N

Compound name

2-[5-(aminomethyl)oxolan-3-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 159.08954 Da
Monoisotopic Mass: -3.2
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	134.2
[M+Na]+	182.07876	141.5
[M+NH4]+	177.12336	141.0
[M+K]+	198.05270	140.3
[M-H]-	158.08226	135.2
[M+Na-2H]-	180.06421	135.7
[M]+	159.08899	135.0
[M]-	159.09009	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.