CID 15946144

2243509-51-3

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

COC(=O)C(CC1CCOC1)N

InChI

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

InChIKey

VTUYFWWPZFYJDH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 173.1052 Da
Monoisotopic Mass: -0.2
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]+	174.112476	139.7
[M+Na]+	196.094418	144.2
[M-H]-	172.097924	142.7
[M+NH4]+	191.139023	159.4
[M+K]+	212.068358	145.4
[M+H-H2O]+	156.102460	134.0
[M+HCOO]-	218.103401	160.6
[M+CH3COO]-	232.119051	179.5
[M+Na-2H]-	194.079866	141.9
[M]+	173.10465142	138.0
[M]-	173.10574858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe