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

167
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 134.7
[M+Na]+ 205.05836 143.2
[M-H]- 181.06186 138.8
[M+NH4]+ 200.10296 153.9
[M+K]+ 221.03230 137.9
[M+H-H2O]+ 165.06640 133.6
[M+HCOO]- 227.06734 161.4
[M+CH3COO]- 241.08299 179.0
[M+Na-2H]- 203.04381 141.6
[M]+ 182.06859 134.0
[M]- 182.06969 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