CID 65988870

1955514-52-9

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

COC(=O)C1(CC(C1)O)CN

InChI

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

InChIKey

BWLLLFLCNYKKKB-UHFFFAOYSA-N

Compound name

methyl 1-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 159.08954 Da
Monoisotopic Mass: -1.2
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]+	160.096816	135.9
[M+Na]+	182.078758	141.0
[M-H]-	158.082264	137.8
[M+NH4]+	177.123363	150.8
[M+K]+	198.052698	143.7
[M+H-H2O]+	142.086800	126.6
[M+HCOO]-	204.087741	156.1
[M+CH3COO]-	218.103391	179.3
[M+Na-2H]-	180.064206	139.6
[M]+	159.08899142	143.0
[M]-	159.09008858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe