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 148.1
[M+Na]+ 258.07368 156.8
[M-H]- 234.07718 154.0
[M+NH4]+ 253.11828 167.2
[M+K]+ 274.04762 152.3
[M+H-H2O]+ 218.08172 146.9
[M+HCOO]- 280.08266 170.6
[M+CH3COO]- 294.09831 186.7
[M+Na-2H]- 256.05913 158.2
[M]+ 235.08391 150.3
[M]- 235.08501 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.