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

2
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 137.0
[M+Na]+ 213.06345 150.2
[M+NH4]+ 208.10805 145.4
[M+K]+ 229.03739 148.0
[M-H]- 189.06695 139.4
[M+Na-2H]- 211.04890 142.9
[M]+ 190.07368 139.3
[M]- 190.07478 139.3
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.