CID 111638

2-[(dimethylamino)methyl]-6-ethoxy-4-nitrophenol

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CCOC1=CC(=CC(=C1O)CN(C)C)[N+](=O)[O-]
InChI
InChI=1S/C11H16N2O4/c1-4-17-10-6-9(13(15)16)5-8(11(10)14)7-12(2)3/h5-6,14H,4,7H2,1-3H3
InChIKey
UIOLKWYSNAUAQC-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-6-ethoxy-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

240.11101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.118286 151.5
[M+Na]+ 263.100228 158.2
[M-H]- 239.103734 155.6
[M+NH4]+ 258.144833 168.4
[M+K]+ 279.074168 153.6
[M+H-H2O]+ 223.108270 149.6
[M+HCOO]- 285.109211 176.9
[M+CH3COO]- 299.124861 191.8
[M+Na-2H]- 261.085676 156.8
[M]+ 240.11046142 153.5
[M]- 240.11155858 153.5
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.