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]+ 222.07608 144.2
[M+Na]+ 244.05802 152.3
[M-H]- 220.06152 149.9
[M+NH4]+ 239.10262 161.8
[M+K]+ 260.03196 147.8
[M+H-H2O]+ 204.06606 142.5
[M+HCOO]- 266.06700 167.1
[M+CH3COO]- 280.08265 184.2
[M+Na-2H]- 242.04347 153.5
[M]+ 221.06825 145.7
[M]- 221.06935 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.