CID 3020957

85721-31-9

Structural Information

Molecular Formula
C12H19NO2
SMILES
CCN(CC1=CC=CC=C1)CC(CO)O
InChI
InChI=1S/C12H19NO2/c1-2-13(9-12(15)10-14)8-11-6-4-3-5-7-11/h3-7,12,14-15H,2,8-10H2,1H3
InChIKey
BITYXLZZFQSMRP-UHFFFAOYSA-N
Compound name
3-[benzyl(ethyl)amino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

209.14159 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 149.8
[M+Na]+ 232.130808 153.9
[M-H]- 208.134314 151.3
[M+NH4]+ 227.175413 167.3
[M+K]+ 248.104748 152.3
[M+H-H2O]+ 192.138850 143.2
[M+HCOO]- 254.139791 171.3
[M+CH3COO]- 268.155441 188.4
[M+Na-2H]- 230.116256 153.5
[M]+ 209.14104142 149.7
[M]- 209.14213858 149.7
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

No patent data available for this compound.