CID 50988553

1308650-34-1

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

COC(=O)C(CC1CCOCC1)CN

InChI

InChI=1S/C10H19NO3/c1-13-10(12)9(7-11)6-8-2-4-14-5-3-8/h8-9H,2-7,11H2,1H3

InChIKey

ZXXCXXABLSJKJM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.13649 Da
Monoisotopic Mass: 0.1
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]+	202.143766	148.2
[M+Na]+	224.125708	151.0
[M-H]-	200.129214	150.6
[M+NH4]+	219.170313	164.9
[M+K]+	240.099648	151.8
[M+H-H2O]+	184.133750	141.7
[M+HCOO]-	246.134691	166.4
[M+CH3COO]-	260.150341	186.0
[M+Na-2H]-	222.111156	150.5
[M]+	201.13594142	145.2
[M]-	201.13703858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.