CID 26140

13627-77-5

Structural Information

Molecular Formula
C13H19NO4
SMILES
CC(CNCC(C1COC2=CC=CC=C2O1)O)O
InChI
InChI=1S/C13H19NO4/c1-9(15)6-14-7-10(16)13-8-17-11-4-2-3-5-12(11)18-13/h2-5,9-10,13-16H,6-8H2,1H3
InChIKey
CLVZBDQHJNGIIR-UHFFFAOYSA-N
Compound name
1-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13141 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13869 158.5
[M+Na]+ 276.12063 167.8
[M+NH4]+ 271.16523 165.2
[M+K]+ 292.09457 164.1
[M-H]- 252.12413 161.9
[M+Na-2H]- 274.10608 160.5
[M]+ 253.13086 160.5
[M]- 253.13196 160.5
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.