CID 148936

61361-62-4

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CCOC1=C(C=C(C=C1)[N+](=O)[O-])CNCCO
InChI
InChI=1S/C11H16N2O4/c1-2-17-11-4-3-10(13(15)16)7-9(11)8-12-5-6-14/h3-4,7,12,14H,2,5-6,8H2,1H3
InChIKey
VMWFSQQDIYPLMZ-UHFFFAOYSA-N
Compound name
2-[(2-ethoxy-5-nitrophenyl)methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.11101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.118286 151.7
[M+Na]+ 263.100228 157.3
[M-H]- 239.103734 153.9
[M+NH4]+ 258.144833 167.6
[M+K]+ 279.074168 151.2
[M+H-H2O]+ 223.108270 149.6
[M+HCOO]- 285.109211 176.6
[M+CH3COO]- 299.124861 187.2
[M+Na-2H]- 261.085676 158.3
[M]+ 240.11046142 152.1
[M]- 240.11155858 152.1
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.