CID 137939373

2375267-99-3

Structural Information

Molecular Formula

C₇H₁₁F₂NO₂

SMILES

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

InChI

InChI=1S/C7H11F2NO2/c1-12-5(11)6(4-10)2-7(8,9)3-6/h2-4,10H2,1H3

InChIKey

VTQLOYOGXOBCPI-UHFFFAOYSA-N

Compound name

methyl 1-(aminomethyl)-3,3-difluorocyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 179.07579 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]+	180.083066	138.3
[M+Na]+	202.065008	145.1
[M-H]-	178.068514	139.4
[M+NH4]+	197.109613	155.2
[M+K]+	218.038948	147.3
[M+H-H2O]+	162.073050	128.8
[M+HCOO]-	224.073991	157.8
[M+CH3COO]-	238.089641	184.8
[M+Na-2H]-	200.050456	142.6
[M]+	179.07524142	144.0
[M]-	179.07633858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.