CID 42447

8-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/c1-7-9(12(13)14)6-8-4-3-5-10(15-2)11(8)16-7/h3-7H,1-2H3
InChIKey
SHCOTMVNOXWXRY-UHFFFAOYSA-N
Compound name
8-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]+ 222.07608 143.4
[M+Na]+ 244.05802 158.1
[M+NH4]+ 239.10262 152.2
[M+K]+ 260.03196 154.7
[M-H]- 220.06152 148.7
[M+Na-2H]- 242.04347 149.1
[M]+ 221.06825 147.0
[M]- 221.06935 147.0
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.