CID 64146893

1191997-33-7

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

COC(=O)C(CC1CCOCC1)N

InChI

InChI=1S/C9H17NO3/c1-12-9(11)8(10)6-7-2-4-13-5-3-7/h7-8H,2-6,10H2,1H3

InChIKey

BQHLKQZNJCKPOM-UHFFFAOYSA-N

Compound name

methyl 2-amino-3-(oxan-4-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 187.12085 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]+	188.12813	143.5
[M+Na]+	210.11007	146.8
[M-H]-	186.11357	146.1
[M+NH4]+	205.15467	160.9
[M+K]+	226.08401	147.9
[M+H-H2O]+	170.11811	137.2
[M+HCOO]-	232.11905	162.1
[M+CH3COO]-	246.13470	182.9
[M+Na-2H]-	208.09552	146.4
[M]+	187.12030	140.2
[M]-	187.12140	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe