CID 67253

2-methoxy-5-methyl-4-nitroaniline

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CC1=CC(=C(C=C1[N+](=O)[O-])OC)N
InChI
InChI=1S/C8H10N2O3/c1-5-3-6(9)8(13-2)4-7(5)10(11)12/h3-4H,9H2,1-2H3
InChIKey
VXUMJWGCPAUKTB-UHFFFAOYSA-N
Compound name
2-methoxy-5-methyl-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

188
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

literature stripe

Patent stripe

patents stripe