CID 86775267

5-methoxy-4-nitro-1h-indene

Structural Information

Molecular Formula
C10H9NO3
SMILES
COC1=C(C2=C(CC=C2)C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H9NO3/c1-14-9-6-5-7-3-2-4-8(7)10(9)11(12)13/h2,4-6H,3H2,1H3
InChIKey
MAOAYKSFAKRBLK-UHFFFAOYSA-N
Compound name
5-methoxy-4-nitro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05824 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 137.9
[M+Na]+ 214.047458 146.5
[M-H]- 190.050964 143.1
[M+NH4]+ 209.092063 159.7
[M+K]+ 230.021398 140.6
[M+H-H2O]+ 174.055500 137.1
[M+HCOO]- 236.056441 164.0
[M+CH3COO]- 250.072091 177.4
[M+Na-2H]- 212.032906 146.0
[M]+ 191.05769142 138.7
[M]- 191.05878858 138.7
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.