CID 132391453

2172602-36-5

Structural Information

Molecular Formula

C₈H₁₅F₂NO

SMILES

CC(C1(CCOCC1)CN)(F)F

InChI

InChI=1S/C8H15F2NO/c1-7(9,10)8(6-11)2-4-12-5-3-8/h2-6,11H2,1H3

InChIKey

YUXXEBYBAATNQO-UHFFFAOYSA-N

Compound name

[4-(1,1-difluoroethyl)oxan-4-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.11217 Da
Monoisotopic Mass: 0.8
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]+	180.11945	140.8
[M+Na]+	202.10139	148.3
[M+NH4]+	197.14599	148.9
[M+K]+	218.07533	142.1
[M-H]-	178.10489	140.6
[M+Na-2H]-	200.08684	145.1
[M]+	179.11162	141.6
[M]-	179.11272	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.