CID 155821279

2445782-59-0

Structural Information

Molecular Formula

SMILES

C1C(CC1N)C(CO)F

InChI

InChI=1S/C6H12FNO/c7-6(3-9)4-1-5(8)2-4/h4-6,9H,1-3,8H2

InChIKey

NNZVSFDTRXDERS-UHFFFAOYSA-N

Compound name

2-(3-aminocyclobutyl)-2-fluoroethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 133.09029 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]+	134.097566	129.2
[M+Na]+	156.079508	133.9
[M-H]-	132.083014	129.6
[M+NH4]+	151.124113	143.3
[M+K]+	172.053448	135.9
[M+H-H2O]+	116.087550	118.0
[M+HCOO]-	178.088491	148.2
[M+CH3COO]-	192.104141	176.9
[M+Na-2H]-	154.064956	131.7
[M]+	133.08974142	132.4
[M]-	133.09083858	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.