CID 3058545

Pan-w-18

Structural Information

Molecular Formula
C8H14N3O2
SMILES
C1=CC=[N+](C(=C1)CNO)CCNO
InChI
InChI=1S/C8H14N3O2/c12-9-4-6-11-5-2-1-3-8(11)7-10-13/h1-3,5,9-10,12-13H,4,6-7H2/q+1
InChIKey
SSEFJDBQTYREQJ-UHFFFAOYSA-N
Compound name
N-[[1-[2-(hydroxyamino)ethyl]pyridin-1-ium-2-yl]methyl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.1086 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11588 136.9
[M+Na]+ 207.09782 142.8
[M-H]- 183.10132 136.8
[M+NH4]+ 202.14242 153.2
[M+K]+ 223.07176 134.6
[M+H-H2O]+ 167.10586 132.8
[M+HCOO]- 229.10680 159.7
[M+CH3COO]- 243.12245 173.9
[M+Na-2H]- 205.08327 147.2
[M]+ 184.10805 133.7
[M]- 184.10915 133.7
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.