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
1
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]+ 241.11829 151.5
[M+Na]+ 263.10023 158.2
[M-H]- 239.10373 155.6
[M+NH4]+ 258.14483 168.4
[M+K]+ 279.07417 153.6
[M+H-H2O]+ 223.10827 149.6
[M+HCOO]- 285.10921 176.9
[M+CH3COO]- 299.12486 191.8
[M+Na-2H]- 261.08568 156.8
[M]+ 240.11046 153.5
[M]- 240.11156 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.