CID 115621

63991-85-5

Structural Information

Molecular Formula
C12H17NO3
SMILES
C1CC2=C(C(=CC=C2)OCC(CO)O)NC1
InChI
InChI=1S/C12H17NO3/c14-7-10(15)8-16-11-5-1-3-9-4-2-6-13-12(9)11/h1,3,5,10,13-15H,2,4,6-8H2
InChIKey
IOULHECGFCVGKE-UHFFFAOYSA-N
Compound name
3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 149.8
[M+Na]+ 246.11007 154.4
[M-H]- 222.11357 148.0
[M+NH4]+ 241.15467 165.4
[M+K]+ 262.08401 150.8
[M+H-H2O]+ 206.11811 143.2
[M+HCOO]- 268.11905 164.1
[M+CH3COO]- 282.13470 181.7
[M+Na-2H]- 244.09552 154.5
[M]+ 223.12030 145.7
[M]- 223.12140 145.7
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.