CID 42464

Brn 1429967

Structural Information

Molecular Formula
C12H13NO4
SMILES
CC1(C(=CC2=C(O1)C=CC(=C2)OC)[N+](=O)[O-])C
InChI
InChI=1S/C12H13NO4/c1-12(2)11(13(14)15)7-8-6-9(16-3)4-5-10(8)17-12/h4-7H,1-3H3
InChIKey
LTVXBOAZCXIEGL-UHFFFAOYSA-N
Compound name
6-methoxy-2,2-dimethyl-3-nitrochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.091736 148.1
[M+Na]+ 258.073678 156.8
[M-H]- 234.077184 154.0
[M+NH4]+ 253.118283 167.2
[M+K]+ 274.047618 152.3
[M+H-H2O]+ 218.081720 146.9
[M+HCOO]- 280.082661 170.6
[M+CH3COO]- 294.098311 186.7
[M+Na-2H]- 256.059126 158.2
[M]+ 235.08391142 150.3
[M]- 235.08500858 150.3
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.