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

19
Patents

191.05824 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 136.2
[M+Na]+ 214.047458 143.2
[M-H]- 190.050964 140.7
[M+NH4]+ 209.092063 155.9
[M+K]+ 230.021398 136.9
[M+H-H2O]+ 174.055500 135.0
[M+HCOO]- 236.056441 158.9
[M+CH3COO]- 250.072091 177.2
[M+Na-2H]- 212.032906 144.7
[M]+ 191.05769142 132.8
[M]- 191.05878858 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