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

44
Patents

158.06108 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06836 132.8
[M+Na]+ 181.05030 144.4
[M-H]- 157.05380 136.6
[M+NH4]+ 176.09490 149.6
[M+K]+ 197.02424 139.4
[M+H-H2O]+ 141.05834 127.5
[M+HCOO]- 203.05928 149.8
[M+CH3COO]- 217.07493 183.4
[M+Na-2H]- 179.03575 138.6
[M]+ 158.06053 134.6
[M]- 158.06163 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe