CID 9218

Nsc 92516

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1OC2C=C3C=CN=C3C=C2O1
InChI
InChI=1S/C9H7NO2/c1-2-10-7-4-9-8(3-6(1)7)11-5-12-9/h1-4,8H,5H2
InChIKey
BGUGGEACYAZDOQ-UHFFFAOYSA-N
Compound name
8aH-[1,3]dioxolo[4,5-f]indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

161.04768 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.054956 127.5
[M+Na]+ 184.036898 137.7
[M-H]- 160.040404 133.3
[M+NH4]+ 179.081503 150.0
[M+K]+ 200.010838 137.8
[M+H-H2O]+ 144.044940 122.8
[M+HCOO]- 206.045881 149.2
[M+CH3COO]- 220.061531 142.8
[M+Na-2H]- 182.022346 136.0
[M]+ 161.04713142 130.1
[M]- 161.04822858 130.1
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.