CID 5745353

2-amino-6-ethyl-4-nitrophenol

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CCC1=C(C(=CC(=C1)[N+](=O)[O-])N)O
InChI
InChI=1S/C8H10N2O3/c1-2-5-3-6(10(12)13)4-7(9)8(5)11/h3-4,11H,2,9H2,1H3
InChIKey
NDIRLYVCYCTRCW-UHFFFAOYSA-N
Compound name
2-amino-6-ethyl-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06914 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 134.7
[M+Na]+ 205.05836 142.8
[M-H]- 181.06186 137.4
[M+NH4]+ 200.10296 153.2
[M+K]+ 221.03230 136.5
[M+H-H2O]+ 165.06640 133.9
[M+HCOO]- 227.06734 159.9
[M+CH3COO]- 241.08299 176.3
[M+Na-2H]- 203.04381 141.1
[M]+ 182.06859 132.1
[M]- 182.06969 132.1
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

No patent data available for this compound.