CID 135460230

Pyridine-4-aldoxime

Structural Information

Molecular Formula
C6H6N2O
SMILES
C1=CN=CC=C1/C=N/O
InChI
InChI=1S/C6H6N2O/c9-8-5-6-1-3-7-4-2-6/h1-5,9H/b8-5+
InChIKey
OFYLBLSSPQTTHT-VMPITWQZSA-N
Compound name
(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

407
Patents

122.04801 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05529 120.5
[M+Na]+ 145.03723 128.8
[M-H]- 121.04073 123.1
[M+NH4]+ 140.08183 141.2
[M+K]+ 161.01117 127.4
[M+H-H2O]+ 105.04527 114.2
[M+HCOO]- 167.04621 146.4
[M+CH3COO]- 181.06186 170.1
[M+Na-2H]- 143.02268 130.9
[M]+ 122.04746 119.8
[M]- 122.04856 119.8
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