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 146.9
[M+Na]+ 249.08457 152.9
[M-H]- 225.08807 149.3
[M+NH4]+ 244.12917 163.4
[M+K]+ 265.05851 147.1
[M+H-H2O]+ 209.09261 145.0
[M+HCOO]- 271.09355 172.2
[M+CH3COO]- 285.10920 184.1
[M+Na-2H]- 247.07002 154.1
[M]+ 226.09480 147.0
[M]- 226.09590 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.