CID 43608326

Methyl 2-[(oxan-4-yl)amino]acetate

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

COC(=O)CNC1CCOCC1

InChI

InChI=1S/C8H15NO3/c1-11-8(10)6-9-7-2-4-12-5-3-7/h7,9H,2-6H2,1H3

InChIKey

ZEMDIXJWXLCFSQ-UHFFFAOYSA-N

Compound name

methyl 2-(oxan-4-ylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 173.1052 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]+	174.112476	137.8
[M+Na]+	196.094418	141.6
[M-H]-	172.097924	141.0
[M+NH4]+	191.139023	156.0
[M+K]+	212.068358	142.9
[M+H-H2O]+	156.102460	131.5
[M+HCOO]-	218.103401	158.3
[M+CH3COO]-	232.119051	179.6
[M+Na-2H]-	194.079866	143.5
[M]+	173.10465142	135.7
[M]-	173.10574858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe