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

808
References

4934
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.