CID 137944903

Rac-(1r,6r)-7-azabicyclo[4.2.0]oct-3-ene

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

C1C=CC[C@@H]2[C@H]1CN2

InChI

InChI=1S/C7H11N/c1-2-4-7-6(3-1)5-8-7/h1-2,6-8H,3-5H2/t6-,7-/m1/s1

InChIKey

OJPKZBPCCLLSBH-RNFRBKRXSA-N

Compound name

(1R,6R)-7-azabicyclo[4.2.0]oct-3-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 109.08915 Da
Monoisotopic Mass: 1.0
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]+	110.096426	117.5
[M+Na]+	132.078368	123.2
[M-H]-	108.081874	118.9
[M+NH4]+	127.122973	133.0
[M+K]+	148.052308	124.1
[M+H-H2O]+	92.086410	107.3
[M+HCOO]-	154.087351	135.5
[M+CH3COO]-	168.103001	169.6
[M+Na-2H]-	130.063816	126.0
[M]+	109.08860142	121.3
[M]-	109.08969858	121.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.