CID 135398747

Pralidoxime

Structural Information

Molecular Formula
C7H9N2O
SMILES
C[N+]1=CC=CC=C1/C=N/O
InChI
InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1
InChIKey
JBKPUQTUERUYQE-UHFFFAOYSA-O
Compound name
(NE)-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

804
References

4302
Patents

137.07149 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.07877 123.8
[M+Na]+ 160.06071 138.9
[M+NH4]+ 155.10531 133.5
[M+K]+ 176.03465 133.1
[M-H]- 136.06421 127.8
[M+Na-2H]- 158.04616 132.8
[M]+ 137.07094 127.4
[M]- 137.07204 127.4
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