CID 148519

50982-74-6

Structural Information

Molecular Formula
C8H10N2O4
SMILES
C1=CC(=C(C=C1OCCO)[N+](=O)[O-])N
InChI
InChI=1S/C8H10N2O4/c9-7-2-1-6(14-4-3-11)5-8(7)10(12)13/h1-2,5,11H,3-4,9H2
InChIKey
UTHUZYBSSBFPES-UHFFFAOYSA-N
Compound name
2-(4-amino-3-nitrophenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

223
Patents

198.06406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 137.8
[M+Na]+ 221.05328 144.7
[M-H]- 197.05678 140.0
[M+NH4]+ 216.09788 155.1
[M+K]+ 237.02722 138.9
[M+H-H2O]+ 181.06132 136.3
[M+HCOO]- 243.06226 163.1
[M+CH3COO]- 257.07791 177.3
[M+Na-2H]- 219.03873 145.0
[M]+ 198.06351 136.1
[M]- 198.06461 136.1
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

patents stripe