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]+ 236.09174 148.2
[M+Na]+ 258.07368 162.9
[M+NH4]+ 253.11828 158.3
[M+K]+ 274.04762 157.5
[M-H]- 234.07718 153.5
[M+Na-2H]- 256.05913 155.3
[M]+ 235.08391 152.0
[M]- 235.08501 152.0
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.