CID 223135

1-(3-nitrophenyl)ethanol

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC(C1=CC(=CC=C1)[N+](=O)[O-])O
InChI
InChI=1S/C8H9NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-6,10H,1H3
InChIKey
FRPQAVXDUWMFCK-UHFFFAOYSA-N
Compound name
1-(3-nitrophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

167.05824 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 131.6
[M+Na]+ 190.04746 144.4
[M+NH4]+ 185.09206 139.8
[M+K]+ 206.02140 141.9
[M-H]- 166.05096 134.3
[M+Na-2H]- 188.03291 137.8
[M]+ 167.05769 134.0
[M]- 167.05879 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe