CID 122458915

1824632-51-0

Structural Information

Molecular Formula

C₇H₁₂FNO₂

SMILES

C1C2(COC2)C(CN1)(CO)F

InChI

InChI=1S/C7H12FNO2/c8-7(3-10)2-9-1-6(7)4-11-5-6/h9-10H,1-5H2

InChIKey

NHAFZSJSLQZPGK-UHFFFAOYSA-N

Compound name

(5-fluoro-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 161.0852 Da
Monoisotopic Mass: -1.1
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]+	162.09248	129.0
[M+Na]+	184.07442	135.0
[M-H]-	160.07792	130.2
[M+NH4]+	179.11902	145.2
[M+K]+	200.04836	136.6
[M+H-H2O]+	144.08246	120.1
[M+HCOO]-	206.08340	144.6
[M+CH3COO]-	220.09905	171.8
[M+Na-2H]-	182.05987	135.8
[M]+	161.08465	132.6
[M]-	161.08575	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe