CID 13236632

84807-26-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

164.05858 Da
Monoisotopic Mass

1.8
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