CID 146082150

2408972-17-6

Structural Information

Molecular Formula

SMILES

C1C(CC1OC(F)(F)F)N

InChI

InChI=1S/C5H8F3NO/c6-5(7,8)10-4-1-3(9)2-4/h3-4H,1-2,9H2

InChIKey

HBXKEGSFCNDVKS-UHFFFAOYSA-N

Compound name

3-(trifluoromethoxy)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 155.0558 Da
Monoisotopic Mass: 1.0
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]+	156.06308	128.0
[M+Na]+	178.04502	134.4
[M-H]-	154.04852	127.4
[M+NH4]+	173.08962	142.1
[M+K]+	194.01896	136.5
[M+H-H2O]+	138.05306	115.7
[M+HCOO]-	200.05400	146.2
[M+CH3COO]-	214.06965	180.7
[M+Na-2H]-	176.03047	132.4
[M]+	155.05525	130.4
[M]-	155.05635	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe