CID 12213990

35012-54-5

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1=CC=NC(=C1)CON
InChI
InChI=1S/C6H8N2O/c7-9-5-6-3-1-2-4-8-6/h1-4H,5,7H2
InChIKey
PMPPBLLDPIXDRE-UHFFFAOYSA-N
Compound name
O-(pyridin-2-ylmethyl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

182
Patents

124.06366 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 121.9
[M+Na]+ 147.052878 129.8
[M-H]- 123.056384 123.9
[M+NH4]+ 142.097483 142.3
[M+K]+ 163.026818 128.6
[M+H-H2O]+ 107.060920 115.5
[M+HCOO]- 169.061861 146.9
[M+CH3COO]- 183.077511 171.0
[M+Na-2H]- 145.038326 131.2
[M]+ 124.06311142 121.0
[M]- 124.06420858 121.0
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