CID 843384

(1s)-2-amino-1-(4-nitrophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H10N2O3
SMILES
C1=CC(=CC=C1[C@@H](CN)O)[N+](=O)[O-]
InChI
InChI=1S/C8H10N2O3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4,8,11H,5,9H2/t8-/m1/s1
InChIKey
DZOWZBGCZPHHLM-MRVPVSSYSA-N
Compound name
(1S)-2-amino-1-(4-nitrophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

92
Patents

182.06914 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 135.2
[M+Na]+ 205.05836 141.1
[M-H]- 181.06186 137.2
[M+NH4]+ 200.10296 152.9
[M+K]+ 221.03230 135.3
[M+H-H2O]+ 165.06640 133.9
[M+HCOO]- 227.06734 159.4
[M+CH3COO]- 241.08299 174.7
[M+Na-2H]- 203.04381 141.7
[M]+ 182.06859 131.1
[M]- 182.06969 131.1
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