CID 60795432

1218276-81-3

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

COC(=O)C(C1CCOC1)N

InChI

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

InChIKey

XDLVWDYDERUGBS-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-(oxolan-3-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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	135.0
[M+Na]+	182.07876	139.9
[M-H]-	158.08226	138.2
[M+NH4]+	177.12336	155.3
[M+K]+	198.05270	141.4
[M+H-H2O]+	142.08680	129.4
[M+HCOO]-	204.08774	156.3
[M+CH3COO]-	218.10339	176.5
[M+Na-2H]-	180.06421	137.7
[M]+	159.08899	133.0
[M]-	159.09009	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe