CID 165986599

1-[3-(difluoromethyl)oxolan-3-yl]methanamine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁F₂NO

SMILES

C1COCC1(CN)C(F)F

InChI

InChI=1S/C6H11F2NO/c7-5(8)6(3-9)1-2-10-4-6/h5H,1-4,9H2

InChIKey

JAWBYEAFGVUZPN-UHFFFAOYSA-N

Compound name

[3-(difluoromethyl)oxolan-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 151.08087 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]+	152.088146	128.7
[M+Na]+	174.070088	135.0
[M-H]-	150.073594	129.5
[M+NH4]+	169.114693	151.4
[M+K]+	190.044028	135.2
[M+H-H2O]+	134.078130	122.5
[M+HCOO]-	196.079071	148.5
[M+CH3COO]-	210.094721	175.0
[M+Na-2H]-	172.055536	133.2
[M]+	151.08032142	122.8
[M]-	151.08141858	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.