CID 11401143

2-(methoxymethyl)-4-nitroaniline

Structural Information

Molecular Formula
C8H10N2O3
SMILES
COCC1=C(C=CC(=C1)[N+](=O)[O-])N
InChI
InChI=1S/C8H10N2O3/c1-13-5-6-4-7(10(11)12)2-3-8(6)9/h2-4H,5,9H2,1H3
InChIKey
NEXYZYSYGLNANJ-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

182.06914 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 135.1
[M+Na]+ 205.058358 142.6
[M-H]- 181.061864 138.8
[M+NH4]+ 200.102963 154.0
[M+K]+ 221.032298 137.3
[M+H-H2O]+ 165.066400 133.7
[M+HCOO]- 227.067341 161.7
[M+CH3COO]- 241.082991 177.9
[M+Na-2H]- 203.043806 142.6
[M]+ 182.06859142 133.9
[M]- 182.06968858 133.9
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