CID 643520

1-methoxy-2-methyl-4-nitrobenzene

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
2
Annotation Hits

0
References

237
Patents

167.05824 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 131.3
[M+Na]+ 190.047458 139.8
[M-H]- 166.050964 135.7
[M+NH4]+ 185.092063 151.5
[M+K]+ 206.021398 135.0
[M+H-H2O]+ 150.055500 130.5
[M+HCOO]- 212.056441 157.6
[M+CH3COO]- 226.072091 173.9
[M+Na-2H]- 188.032906 139.5
[M]+ 167.05769142 132.0
[M]- 167.05878858 132.0
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