CID 105446076

1780656-45-2

Structural Information

Molecular Formula

C₈H₁₇FN₂O₂

SMILES

CC(C)(C)OC(=O)NCC(CN)F

InChI

InChI=1S/C8H17FN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10/h6H,4-5,10H2,1-3H3,(H,11,12)

InChIKey

SFZLTHKXGXQZCY-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-amino-2-fluoropropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 192.12741 Da
Monoisotopic Mass: 0.4
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]+	193.13469	144.4
[M+Na]+	215.11663	149.5
[M-H]-	191.12013	142.8
[M+NH4]+	210.16123	163.2
[M+K]+	231.09057	149.7
[M+H-H2O]+	175.12467	138.3
[M+HCOO]-	237.12561	165.1
[M+CH3COO]-	251.14126	188.1
[M+Na-2H]-	213.10208	147.3
[M]+	192.12686	142.6
[M]-	192.12796	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe