CID 15663323

1-aci-nitro-2-(1h-indol-3-yl)ethane

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C/C=[N+](/O)\[O-]
InChI
InChI=1S/C10H10N2O2/c13-12(14)6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2,(H,13,14)
InChIKey
LZEDEUNADWSJKX-UHFFFAOYSA-N
Compound name
N-hydroxy-2-(1H-indol-3-yl)ethanimine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

190.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 137.4
[M+Na]+ 213.06345 145.4
[M-H]- 189.06695 138.5
[M+NH4]+ 208.10805 156.5
[M+K]+ 229.03739 136.9
[M+H-H2O]+ 173.07149 136.0
[M+HCOO]- 235.07243 160.6
[M+CH3COO]- 249.08808 170.5
[M+Na-2H]- 211.04890 146.5
[M]+ 190.07368 134.5
[M]- 190.07478 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.