CID 53487876

1083181-23-0

Structural Information

Molecular Formula

C₉H₁₇FN₂O₂

SMILES

CC(C)(C)OC(=O)N1CC(C1)(CN)F

InChI

InChI=1S/C9H17FN2O2/c1-8(2,3)14-7(13)12-5-9(10,4-11)6-12/h4-6,11H2,1-3H3

InChIKey

HRNGGAXXQINCHD-UHFFFAOYSA-N

Compound name

tert-butyl 3-(aminomethyl)-3-fluoroazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 204.12741 Da
Monoisotopic Mass: 0.2
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]+	205.13469	150.0
[M+Na]+	227.11663	155.5
[M-H]-	203.12013	150.5
[M+NH4]+	222.16123	162.9
[M+K]+	243.09057	158.0
[M+H-H2O]+	187.12467	139.2
[M+HCOO]-	249.12561	167.1
[M+CH3COO]-	263.14126	189.8
[M+Na-2H]-	225.10208	153.3
[M]+	204.12686	157.0
[M]-	204.12796	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe