CID 112562685

2098111-95-4

Structural Information

Molecular Formula

SMILES

C1COCC1C(CN)F

InChI

InChI=1S/C6H12FNO/c7-6(3-8)5-1-2-9-4-5/h5-6H,1-4,8H2

InChIKey

AITAJQWNJLAGSF-UHFFFAOYSA-N

Compound name

2-fluoro-2-(oxolan-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 133.09029 Da
Monoisotopic Mass: -0.1
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]+	134.09757	127.5
[M+Na]+	156.07951	132.8
[M-H]-	132.08301	129.3
[M+NH4]+	151.12411	148.9
[M+K]+	172.05345	133.3
[M+H-H2O]+	116.08755	121.2
[M+HCOO]-	178.08849	148.3
[M+CH3COO]-	192.10414	172.7
[M+Na-2H]-	154.06496	131.3
[M]+	133.08974	122.4
[M]-	133.09084	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.