CID 602726

5-methoxy-2-methyl-4-nitroaniline

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CC1=CC(=C(C=C1N)OC)[N+](=O)[O-]
InChI
InChI=1S/C8H10N2O3/c1-5-3-7(10(11)12)8(13-2)4-6(5)9/h3-4H,9H2,1-2H3
InChIKey
PEIGETRPPZVBHT-UHFFFAOYSA-N
Compound name
5-methoxy-2-methyl-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

182.06914 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 135.0
[M+Na]+ 205.05836 147.9
[M+NH4]+ 200.10296 143.0
[M+K]+ 221.03230 145.3
[M-H]- 181.06186 138.6
[M+Na-2H]- 203.04381 140.9
[M]+ 182.06859 137.7
[M]- 182.06969 137.7
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

patents stripe