CID 121604757

1936232-10-8

Structural Information

Molecular Formula

C₉H₁₅F₂NO₂

SMILES

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

InChI

InChI=1S/C9H15F2NO2/c1-7(2,3)14-6(13)8(12)4-9(10,11)5-8/h4-5,12H2,1-3H3

InChIKey

SCODQJJSXSCMQA-UHFFFAOYSA-N

Compound name

tert-butyl 1-amino-3,3-difluorocyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 207.10709 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]+	208.11437	148.1
[M+Na]+	230.09631	154.5
[M-H]-	206.09981	149.1
[M+NH4]+	225.14091	164.1
[M+K]+	246.07025	156.7
[M+H-H2O]+	190.10435	139.0
[M+HCOO]-	252.10529	165.4
[M+CH3COO]-	266.12094	190.3
[M+Na-2H]-	228.08176	152.1
[M]+	207.10654	153.8
[M]-	207.10764	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe