CID 5276874

1-propanamine, 3-(2-nitrophenoxy)-, monohydrochloride

Structural Information

Molecular Formula
C9H12N2O3
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])OCCCN
InChI
InChI=1S/C9H12N2O3/c10-6-3-7-14-9-5-2-1-4-8(9)11(12)13/h1-2,4-5H,3,6-7,10H2
InChIKey
OWYFLIFPPODJGL-UHFFFAOYSA-N
Compound name
3-(2-nitrophenoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

196.0848 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 140.1
[M+Na]+ 219.07402 146.3
[M-H]- 195.07752 143.3
[M+NH4]+ 214.11862 158.1
[M+K]+ 235.04796 140.7
[M+H-H2O]+ 179.08206 138.3
[M+HCOO]- 241.08300 166.5
[M+CH3COO]- 255.09865 179.8
[M+Na-2H]- 217.05947 147.7
[M]+ 196.08425 138.9
[M]- 196.08535 138.9
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.