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
1
Annotation Hits

9
References

1563
Patents

164.05858 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 130.5
[M+Na]+ 187.04780 137.8
[M-H]- 163.05130 132.6
[M+NH4]+ 182.09240 151.1
[M+K]+ 203.02174 131.0
[M+H-H2O]+ 147.05584 129.3
[M+HCOO]- 209.05678 153.0
[M+CH3COO]- 223.07243 168.4
[M+Na-2H]- 185.03325 139.1
[M]+ 164.05803 126.0
[M]- 164.05913 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