CID 14773389

111478-49-0

Structural Information

Molecular Formula
C11H11NO4
SMILES
CC1(CC(=O)C2=C(O1)C=CC(=C2)[N+](=O)[O-])C
InChI
InChI=1S/C11H11NO4/c1-11(2)6-9(13)8-5-7(12(14)15)3-4-10(8)16-11/h3-5H,6H2,1-2H3
InChIKey
SKWGQIKSBYQUAP-UHFFFAOYSA-N
Compound name
2,2-dimethyl-6-nitro-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

221.0688 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 143.2
[M+Na]+ 244.05802 151.6
[M-H]- 220.06152 148.9
[M+NH4]+ 239.10262 162.8
[M+K]+ 260.03196 146.9
[M+H-H2O]+ 204.06606 142.4
[M+HCOO]- 266.06700 164.9
[M+CH3COO]- 280.08265 183.1
[M+Na-2H]- 242.04347 152.9
[M]+ 221.06825 143.0
[M]- 221.06935 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe