CID 55278387

2137096-29-6

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1CC2=C([C@@H]1N)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O2/c10-8-5-4-7-6(8)2-1-3-9(7)11(12)13/h1-3,8H,4-5,10H2/t8-/m1/s1
InChIKey
RCVWWESVVPXRIX-MRVPVSSYSA-N
Compound name
(1R)-4-nitro-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 134.0
[M+Na]+ 201.06345 141.2
[M-H]- 177.06695 138.3
[M+NH4]+ 196.10805 155.6
[M+K]+ 217.03739 134.7
[M+H-H2O]+ 161.07149 133.2
[M+HCOO]- 223.07243 159.2
[M+CH3COO]- 237.08808 176.6
[M+Na-2H]- 199.04890 141.2
[M]+ 178.07368 129.9
[M]- 178.07478 129.9
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.