CID 42448

6-methoxy-2-methyl-3-nitro-2h-1-benzopyran

Structural Information

Molecular Formula
C11H11NO4
SMILES
CC1C(=CC2=C(O1)C=CC(=C2)OC)[N+](=O)[O-]
InChI
InChI=1S/C11H11NO4/c1-7-10(12(13)14)6-8-5-9(15-2)3-4-11(8)16-7/h3-7H,1-2H3
InChIKey
RUPZVYKLQQEGAZ-UHFFFAOYSA-N
Compound name
6-methoxy-2-methyl-3-nitro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.0688 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.076076 144.2
[M+Na]+ 244.058018 152.3
[M-H]- 220.061524 149.9
[M+NH4]+ 239.102623 161.8
[M+K]+ 260.031958 147.8
[M+H-H2O]+ 204.066060 142.5
[M+HCOO]- 266.067001 167.1
[M+CH3COO]- 280.082651 184.2
[M+Na-2H]- 242.043466 153.5
[M]+ 221.06825142 145.7
[M]- 221.06934858 145.7
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.