CID 21503245

Schembl15178339

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CONC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O3/c1-12-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3
InChIKey
VNYPTXVHBQIJMP-UHFFFAOYSA-N
Compound name
N-methoxy-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

168.0535 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 130.1
[M+Na]+ 191.042718 137.1
[M-H]- 167.046224 134.1
[M+NH4]+ 186.087323 149.5
[M+K]+ 207.016658 132.4
[M+H-H2O]+ 151.050760 128.7
[M+HCOO]- 213.051701 157.7
[M+CH3COO]- 227.067351 174.4
[M+Na-2H]- 189.028166 139.8
[M]+ 168.05295142 129.2
[M]- 168.05404858 129.2
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