CID 93984136

2408935-99-7

Structural Information

Molecular Formula
C9H12N2O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])[C@H](CCO)N
InChI
InChI=1S/C9H12N2O3/c10-9(4-5-12)7-2-1-3-8(6-7)11(13)14/h1-3,6,9,12H,4-5,10H2/t9-/m0/s1
InChIKey
KKVSRHNIXKKLSK-VIFPVBQESA-N
Compound name
(3S)-3-amino-3-(3-nitrophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0848 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 139.9
[M+Na]+ 219.07402 150.9
[M+NH4]+ 214.11862 147.2
[M+K]+ 235.04796 148.8
[M-H]- 195.07752 142.6
[M+Na-2H]- 217.05947 145.0
[M]+ 196.08425 141.8
[M]- 196.08535 141.8
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

No patent data available for this compound.