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
8
Annotation Hits

798
References

4737
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 125.3
[M+Na]+ 160.06071 134.0
[M-H]- 136.06421 128.5
[M+NH4]+ 155.10531 145.5
[M+K]+ 176.03465 127.0
[M+H-H2O]+ 120.06875 121.9
[M+HCOO]- 182.06969 150.5
[M+CH3COO]- 196.08534 167.4
[M+Na-2H]- 158.04616 136.7
[M]+ 137.07094 124.1
[M]- 137.07204 124.1
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