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]+ 192.06552 137.9
[M+Na]+ 214.04746 146.5
[M-H]- 190.05096 143.1
[M+NH4]+ 209.09206 159.7
[M+K]+ 230.02140 140.6
[M+H-H2O]+ 174.05550 137.1
[M+HCOO]- 236.05644 164.0
[M+CH3COO]- 250.07209 177.4
[M+Na-2H]- 212.03291 146.0
[M]+ 191.05769 138.7
[M]- 191.05879 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.