CID 11265840

5-nitro-indan-2-ylamine hydrochloride

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1C(CC2=C1C=CC(=C2)[N+](=O)[O-])N
InChI
InChI=1S/C9H10N2O2/c10-8-3-6-1-2-9(11(12)13)5-7(6)4-8/h1-2,5,8H,3-4,10H2
InChIKey
MDRSLNMEVGJERF-UHFFFAOYSA-N
Compound name
5-nitro-2,3-dihydro-1H-inden-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

178.07423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 134.0
[M+Na]+ 201.063448 141.2
[M-H]- 177.066954 138.3
[M+NH4]+ 196.108053 155.6
[M+K]+ 217.037388 134.7
[M+H-H2O]+ 161.071490 133.2
[M+HCOO]- 223.072431 159.2
[M+CH3COO]- 237.088081 176.6
[M+Na-2H]- 199.048896 141.2
[M]+ 178.07368142 129.9
[M]- 178.07477858 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

patents stripe