CID 9578424

1,2,5,6-tetrahydro-1,1-dimethyl-3-formylpyridinium iodide oxime

Structural Information

Molecular Formula
C8H15N2O
SMILES
C[N+]1(CCC=C(C1)/C=N/O)C
InChI
InChI=1S/C8H14N2O/c1-10(2)5-3-4-8(7-10)6-9-11/h4,6H,3,5,7H2,1-2H3/p+1/b9-6+
InChIKey
XHLYXGCCRSQQQT-RMKNXTFCSA-O
Compound name
(NE)-N-[(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.11844 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.12572 130.0
[M+Na]+ 178.10766 137.0
[M-H]- 154.11116 132.5
[M+NH4]+ 173.15226 151.6
[M+K]+ 194.08160 130.3
[M+H-H2O]+ 138.11570 127.3
[M+HCOO]- 200.11664 151.8
[M+CH3COO]- 214.13229 170.7
[M+Na-2H]- 176.09311 140.0
[M]+ 155.11789 126.1
[M]- 155.11899 126.1
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.