CID 188075

68743-67-9

Structural Information

Molecular Formula
C9H11N3O2
SMILES
C1CC(N(C1C2=CN=CC=C2)N=O)O
InChI
InChI=1S/C9H11N3O2/c13-9-4-3-8(12(9)11-14)7-2-1-5-10-6-7/h1-2,5-6,8-9,13H,3-4H2
InChIKey
OPIMKKJZZFWGRJ-UHFFFAOYSA-N
Compound name
1-nitroso-5-pyridin-3-ylpyrrolidin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08513 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 139.0
[M+Na]+ 216.074348 146.8
[M-H]- 192.077854 143.3
[M+NH4]+ 211.118953 157.2
[M+K]+ 232.048288 144.8
[M+H-H2O]+ 176.082390 130.8
[M+HCOO]- 238.083331 162.0
[M+CH3COO]- 252.098981 183.3
[M+Na-2H]- 214.059796 144.3
[M]+ 193.08458142 137.5
[M]- 193.08567858 137.5
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

No patent data available for this compound.