CID 2063446

81307-09-7

Structural Information

Molecular Formula
C15H13NO5
SMILES
COC1=C(C=CC(=C1)C=O)OCC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H13NO5/c1-20-15-8-12(9-17)4-7-14(15)21-10-11-2-5-13(6-3-11)16(18)19/h2-9H,10H2,1H3
InChIKey
LBZHTZHIZXKRQK-UHFFFAOYSA-N
Compound name
3-methoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

287.07938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08666 163.3
[M+Na]+ 310.06860 170.4
[M-H]- 286.07210 170.3
[M+NH4]+ 305.11320 177.8
[M+K]+ 326.04254 163.8
[M+H-H2O]+ 270.07664 159.6
[M+HCOO]- 332.07758 189.0
[M+CH3COO]- 346.09323 195.2
[M+Na-2H]- 308.05405 169.7
[M]+ 287.07883 166.1
[M]- 287.07993 166.1
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