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

185
Patents

182.06914 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 134.7
[M+Na]+ 205.058358 143.2
[M-H]- 181.061864 138.8
[M+NH4]+ 200.102963 153.9
[M+K]+ 221.032298 137.9
[M+H-H2O]+ 165.066400 133.6
[M+HCOO]- 227.067341 161.4
[M+CH3COO]- 241.082991 179.0
[M+Na-2H]- 203.043806 141.6
[M]+ 182.06859142 134.0
[M]- 182.06968858 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

No literature data available for this compound.

Patent stripe

patents stripe