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

209
Patents

198.06406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.071336 137.8
[M+Na]+ 221.053278 144.7
[M-H]- 197.056784 140.0
[M+NH4]+ 216.097883 155.1
[M+K]+ 237.027218 138.9
[M+H-H2O]+ 181.061320 136.3
[M+HCOO]- 243.062261 163.1
[M+CH3COO]- 257.077911 177.3
[M+Na-2H]- 219.038726 145.0
[M]+ 198.06351142 136.1
[M]- 198.06460858 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