CID 17156820

2-{2-[(2-phenylethyl)amino]ethoxy}ethan-1-ol

Structural Information

Molecular Formula
C12H19NO2
SMILES
C1=CC=C(C=C1)CCNCCOCCO
InChI
InChI=1S/C12H19NO2/c14-9-11-15-10-8-13-7-6-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2
InChIKey
XSOWLMHIEJKUJO-UHFFFAOYSA-N
Compound name
2-[2-(2-phenylethylamino)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 148.1
[M+Na]+ 232.130808 152.8
[M-H]- 208.134314 149.5
[M+NH4]+ 227.175413 165.7
[M+K]+ 248.104748 150.1
[M+H-H2O]+ 192.138850 141.3
[M+HCOO]- 254.139791 171.6
[M+CH3COO]- 268.155441 186.7
[M+Na-2H]- 230.116256 154.5
[M]+ 209.14104142 149.3
[M]- 209.14213858 149.3
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

No patent data available for this compound.