CID 55268379

2-amino-2-(3-nitrophenyl)propan-1-ol hydrochloride

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CC(CO)(C1=CC(=CC=C1)[N+](=O)[O-])N
InChI
InChI=1S/C9H12N2O3/c1-9(10,6-12)7-3-2-4-8(5-7)11(13)14/h2-5,12H,6,10H2,1H3
InChIKey
AUTVJHZGHBFRNV-UHFFFAOYSA-N
Compound name
2-amino-2-(3-nitrophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

196.0848 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 138.8
[M+Na]+ 219.07402 149.8
[M+NH4]+ 214.11862 146.0
[M+K]+ 235.04796 148.2
[M-H]- 195.07752 141.1
[M+Na-2H]- 217.05947 144.3
[M]+ 196.08425 140.7
[M]- 196.08535 140.7
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