CID 18075251

4-methoxyphenyl 2-methyl-3-nitrobenzoate

Structural Information

Molecular Formula
C15H13NO5
SMILES
CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H13NO5/c1-10-13(4-3-5-14(10)16(18)19)15(17)21-12-8-6-11(20-2)7-9-12/h3-9H,1-2H3
InChIKey
HOVWGIGLFVKHLX-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) 2-methyl-3-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.07938 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08666 161.9
[M+Na]+ 310.06860 176.5
[M+NH4]+ 305.11320 169.1
[M+K]+ 326.04254 173.0
[M-H]- 286.07210 166.7
[M+Na-2H]- 308.05405 169.7
[M]+ 287.07883 165.3
[M]- 287.07993 165.3
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.