CID 13012494

58161-31-2

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1CC2=C(C(=O)C1)C(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H9NO3/c12-9-6-2-4-7-3-1-5-8(10(7)9)11(13)14/h1,3,5H,2,4,6H2
InChIKey
UKKCVYLILLBOTM-UHFFFAOYSA-N
Compound name
8-nitro-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

191.05824 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 136.2
[M+Na]+ 214.04746 143.2
[M-H]- 190.05096 140.7
[M+NH4]+ 209.09206 155.9
[M+K]+ 230.02140 136.9
[M+H-H2O]+ 174.05550 135.0
[M+HCOO]- 236.05644 158.9
[M+CH3COO]- 250.07209 177.2
[M+Na-2H]- 212.03291 144.7
[M]+ 191.05769 132.8
[M]- 191.05879 132.8
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