CID 51291

71267-22-6

Structural Information

Molecular Formula
C10H11N3O
SMILES
C1C=CCN([C@@H]1C2=CN=CC=C2)N=O
InChI
InChI=1S/C10H11N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h1-4,6,8,10H,5,7H2/t10-/m0/s1
InChIKey
ZJOFAFWTOKDIFH-JTQLQIEISA-N
Compound name
3-[(2S)-1-nitroso-3,6-dihydro-2H-pyridin-2-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

1245
Patents

189.09021 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 140.3
[M+Na]+ 212.07943 154.0
[M+NH4]+ 207.12403 148.8
[M+K]+ 228.05337 146.7
[M-H]- 188.08293 144.5
[M+Na-2H]- 210.06488 149.9
[M]+ 189.08966 143.3
[M]- 189.09076 143.3
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