CID 155821062

2445785-80-6

Structural Information

Molecular Formula

C₁₀H₁₈F₂N₂O₂

SMILES

CC(C)(C)OC(=O)N(CC1CC(C1)(F)F)N

InChI

InChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14(13)6-7-4-10(11,12)5-7/h7H,4-6,13H2,1-3H3

InChIKey

MWKFQHCEZMTMQS-UHFFFAOYSA-N

Compound name

tert-butyl N-amino-N-[(3,3-difluorocyclobutyl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.13364 Da
Monoisotopic Mass: 1.8
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]+	237.140916	158.2
[M+Na]+	259.122858	162.3
[M-H]-	235.126364	159.8
[M+NH4]+	254.167463	171.2
[M+K]+	275.096798	165.8
[M+H-H2O]+	219.130900	146.3
[M+HCOO]-	281.131841	176.4
[M+CH3COO]-	295.147491	201.0
[M+Na-2H]-	257.108306	159.6
[M]+	236.13309142	164.1
[M]-	236.13418858	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.