CID 139026824

2361643-77-6

Structural Information

Molecular Formula

C₇H₁₀F₃NO

SMILES

C1C2(CC1(OC2)CN)C(F)(F)F

InChI

InChI=1S/C7H10F3NO/c8-7(9,10)5-1-6(2-5,3-11)12-4-5/h1-4,11H2

InChIKey

BUNFERCYUISUTE-UHFFFAOYSA-N

Compound name

[4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 181.07144 Da
Monoisotopic Mass: 0.5
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]+	182.07872	136.4
[M+Na]+	204.06066	137.0
[M+NH4]+	199.10526	142.3
[M+K]+	220.03460	135.0
[M-H]-	180.06416	129.0
[M+Na-2H]-	202.04611	133.6
[M]+	181.07089	133.2
[M]-	181.07199	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe