CID 9815539

Ono-1714 hcl

Structural Information

Molecular Formula

C₇H₁₁ClN₂

SMILES

C[C@H]1CC(=N[C@H]2[C@@H]1[C@H]2Cl)N

InChI

InChI=1S/C7H11ClN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5-,6+,7-/m0/s1

InChIKey

SEVICIFJHBFRBO-OIADKPKDSA-N

Compound name

(1S,5S,6R,7R)-7-chloro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 44
References: 41
Patents: 158.06108 Da
Monoisotopic Mass: 0.3
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]+	159.06836	126.9
[M+Na]+	181.05030	141.1
[M+NH4]+	176.09490	137.3
[M+K]+	197.02424	136.1
[M-H]-	157.05380	136.2
[M+Na-2H]-	179.03575	134.9
[M]+	158.06053	132.9
[M]-	158.06163	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe