CID 3032926

1-azabicyclo(4.2.0)octane, (r)-

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CCN2CC[C@H]2C1

InChI

InChI=1S/C7H13N/c1-2-5-8-6-4-7(8)3-1/h7H,1-6H2/t7-/m1/s1

InChIKey

JTATVNVLVDZAGB-SSDOTTSWSA-N

Compound name

(6R)-1-azabicyclo[4.2.0]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 111.1048 Da
Monoisotopic Mass: 1.3
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]+	112.112076	117.7
[M+Na]+	134.094018	122.7
[M-H]-	110.097524	120.1
[M+NH4]+	129.138623	133.7
[M+K]+	150.067958	124.8
[M+H-H2O]+	94.102060	107.2
[M+HCOO]-	156.103001	135.7
[M+CH3COO]-	170.118651	172.6
[M+Na-2H]-	132.079466	125.7
[M]+	111.10425142	121.8
[M]-	111.10534858	121.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe