CID 2735476

91579-11-2

Structural Information

Molecular Formula
C15H16N2O3
SMILES
C1=CC=C(C=C1)CNCC(C2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C15H16N2O3/c18-15(11-16-10-12-4-2-1-3-5-12)13-6-8-14(9-7-13)17(19)20/h1-9,15-16,18H,10-11H2
InChIKey
JDCPMOWSBPLTHF-UHFFFAOYSA-N
Compound name
2-(benzylamino)-1-(4-nitrophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

272.1161 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 161.2
[M+Na]+ 295.10532 174.2
[M+NH4]+ 290.14992 168.9
[M+K]+ 311.07926 169.9
[M-H]- 271.10882 166.8
[M+Na-2H]- 293.09077 169.5
[M]+ 272.11555 164.4
[M]- 272.11665 164.4
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