CID 27054

2-nitrophenethyl alcohol

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1=CC=C(C(=C1)CCO)[N+](=O)[O-]
InChI
InChI=1S/C8H9NO3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,10H,5-6H2
InChIKey
SLRIOXRBAPBGEI-UHFFFAOYSA-N
Compound name
2-(2-nitrophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

537
Patents

167.05824 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 131.6
[M+Na]+ 190.04746 144.8
[M+NH4]+ 185.09206 139.9
[M+K]+ 206.02140 141.4
[M-H]- 166.05096 134.6
[M+Na-2H]- 188.03291 138.2
[M]+ 167.05769 134.1
[M]- 167.05879 134.1
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

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