CID 10262086

(2r)-2-amino-3-(4-nitrophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H12N2O3
SMILES
C1=CC(=CC=C1C[C@H](CO)N)[N+](=O)[O-]
InChI
InChI=1S/C9H12N2O3/c10-8(6-12)5-7-1-3-9(4-2-7)11(13)14/h1-4,8,12H,5-6,10H2/t8-/m1/s1
InChIKey
PCLGMKWXPXAGEO-MRVPVSSYSA-N
Compound name
(2R)-2-amino-3-(4-nitrophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

196.0848 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.092076 140.0
[M+Na]+ 219.074018 145.5
[M-H]- 195.077524 141.8
[M+NH4]+ 214.118623 157.2
[M+K]+ 235.047958 139.5
[M+H-H2O]+ 179.082060 138.5
[M+HCOO]- 241.083001 163.8
[M+CH3COO]- 255.098651 177.8
[M+Na-2H]- 217.059466 145.9
[M]+ 196.08425142 136.3
[M]- 196.08534858 136.3
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