CID 36219

5-nitroindoline

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C1CNC2=C1C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9H,3-4H2
InChIKey
WJQWYAJTPPYORB-UHFFFAOYSA-N
Compound name
5-nitro-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

1597
Patents

164.05858 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.065856 130.5
[M+Na]+ 187.047798 137.8
[M-H]- 163.051304 132.6
[M+NH4]+ 182.092403 151.1
[M+K]+ 203.021738 131.0
[M+H-H2O]+ 147.055840 129.3
[M+HCOO]- 209.056781 153.0
[M+CH3COO]- 223.072431 168.4
[M+Na-2H]- 185.033246 139.1
[M]+ 164.05803142 126.0
[M]- 164.05912858 126.0
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

patents stripe