CID 135909813

Pyridinium, 1-((3-butynyloxy)methyl)-4-((hydroxyimino)methyl)-, chloride

Structural Information

Molecular Formula
C11H13N2O2
SMILES
C#CCCOC[N+]1=CC=C(C=C1)/C=N/O
InChI
InChI=1S/C11H12N2O2/c1-2-3-8-15-10-13-6-4-11(5-7-13)9-12-14/h1,4-7,9H,3,8,10H2/p+1
InChIKey
NOSZISIVCZYJIT-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(but-3-ynoxymethyl)pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

205.0977 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.10498 145.1
[M+Na]+ 228.08692 158.4
[M+NH4]+ 223.13152 149.7
[M+K]+ 244.06086 149.4
[M-H]- 204.09042 140.0
[M+Na-2H]- 226.07237 149.2
[M]+ 205.09715 144.9
[M]- 205.09825 144.9
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.