CID 5708334

3-acetylpyridine oxime

Structural Information

Molecular Formula
C7H8N2O
SMILES
C/C(=N\O)/C1=CN=CC=C1
InChI
InChI=1S/C7H8N2O/c1-6(9-10)7-3-2-4-8-5-7/h2-5,10H,1H3/b9-6+
InChIKey
MSRXORUOQNNOKN-RMKNXTFCSA-N
Compound name
(NE)-N-(1-pyridin-3-ylethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

88
Patents

136.06366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 125.7
[M+Na]+ 159.05288 133.3
[M-H]- 135.05638 128.2
[M+NH4]+ 154.09748 145.8
[M+K]+ 175.02682 132.1
[M+H-H2O]+ 119.06092 119.2
[M+HCOO]- 181.06186 150.2
[M+CH3COO]- 195.07751 174.0
[M+Na-2H]- 157.03833 134.3
[M]+ 136.06311 124.7
[M]- 136.06421 124.7
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