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 162.1
[M-H]- 252.12413 160.6
[M+NH4]+ 271.16523 171.8
[M+K]+ 292.09457 162.1
[M+H-H2O]+ 236.12867 151.7
[M+HCOO]- 298.12961 173.6
[M+CH3COO]- 312.14526 193.1
[M+Na-2H]- 274.10608 163.8
[M]+ 253.13086 157.5
[M]- 253.13196 157.5
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.