CID 643520

2-methyl-4-nitroanisole

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])OC
InChI
InChI=1S/C8H9NO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H3
InChIKey
QOZMIJZYJZQOBV-UHFFFAOYSA-N
Compound name
1-methoxy-2-methyl-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

167.05824 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 131.1
[M+Na]+ 190.04746 145.2
[M+NH4]+ 185.09206 139.8
[M+K]+ 206.02140 141.8
[M-H]- 166.05096 134.6
[M+Na-2H]- 188.03291 138.1
[M]+ 167.05769 134.0
[M]- 167.05879 134.0
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