CID 43625

61361-61-3

Structural Information

Molecular Formula
C10H14N2O4
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])CNCCO
InChI
InChI=1S/C10H14N2O4/c1-16-10-3-2-9(12(14)15)6-8(10)7-11-4-5-13/h2-3,6,11,13H,4-5,7H2,1H3
InChIKey
ZMEJPNWTFNLTGG-UHFFFAOYSA-N
Compound name
2-[(2-methoxy-5-nitrophenyl)methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.09535 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 147.3
[M+Na]+ 249.08457 158.6
[M+NH4]+ 244.12917 154.1
[M+K]+ 265.05851 156.0
[M-H]- 225.08807 149.9
[M+Na-2H]- 247.07002 152.3
[M]+ 226.09480 149.3
[M]- 226.09590 149.3
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.