CID 9578424

Pyridinium, 1,2,5,6-tetrahydro-1,1-dimethyl-3-formyl-, 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]+ 156.125716 130.0
[M+Na]+ 178.107658 137.0
[M-H]- 154.111164 132.5
[M+NH4]+ 173.152263 151.6
[M+K]+ 194.081598 130.3
[M+H-H2O]+ 138.115700 127.3
[M+HCOO]- 200.116641 151.8
[M+CH3COO]- 214.132291 170.7
[M+Na-2H]- 176.093106 140.0
[M]+ 155.11789142 126.1
[M]- 155.11898858 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.