CID 135392852

2247102-49-2

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC1(CC(C1)N)C(=O)OC

InChI

InChI=1S/C7H13NO2/c1-7(6(9)10-2)3-5(8)4-7/h5H,3-4,8H2,1-2H3

InChIKey

IIANLAXTQJUXIQ-UHFFFAOYSA-N

Compound name

methyl 3-amino-1-methylcyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 143.09464 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]+	144.10192	133.5
[M+Na]+	166.08386	138.2
[M+NH4]+	161.12846	138.5
[M+K]+	182.05780	134.2
[M-H]-	142.08736	131.5
[M+Na-2H]-	164.06931	136.0
[M]+	143.09409	132.3
[M]-	143.09519	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe