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]+ 206.104976 146.5
[M+Na]+ 228.086918 155.5
[M-H]- 204.090424 147.1
[M+NH4]+ 223.131523 161.5
[M+K]+ 244.060858 147.0
[M+H-H2O]+ 188.094960 135.6
[M+HCOO]- 250.095901 164.4
[M+CH3COO]- 264.111551 188.2
[M+Na-2H]- 226.072366 153.9
[M]+ 205.09715142 141.6
[M]- 205.09824858 141.6
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.