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]+ 241.11829 151.7
[M+Na]+ 263.10023 157.3
[M-H]- 239.10373 153.9
[M+NH4]+ 258.14483 167.6
[M+K]+ 279.07417 151.2
[M+H-H2O]+ 223.10827 149.6
[M+HCOO]- 285.10921 176.6
[M+CH3COO]- 299.12486 187.2
[M+Na-2H]- 261.08568 158.3
[M]+ 240.11046 152.1
[M]- 240.11156 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.