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]+ 227.102626 146.9
[M+Na]+ 249.084568 152.9
[M-H]- 225.088074 149.3
[M+NH4]+ 244.129173 163.4
[M+K]+ 265.058508 147.1
[M+H-H2O]+ 209.092610 145.0
[M+HCOO]- 271.093551 172.2
[M+CH3COO]- 285.109201 184.1
[M+Na-2H]- 247.070016 154.1
[M]+ 226.09480142 147.0
[M]- 226.09589858 147.0
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.