CID 26138

13627-75-3

Structural Information

Molecular Formula
C12H17NO4
SMILES
C1C(OC2=CC=CC=C2O1)C(CNCCO)O
InChI
InChI=1S/C12H17NO4/c14-6-5-13-7-9(15)12-8-16-10-3-1-2-4-11(10)17-12/h1-4,9,12-15H,5-8H2
InChIKey
NPQYXDYEJIPVDB-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-hydroxyethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.11575 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.123026 152.9
[M+Na]+ 262.104968 157.2
[M-H]- 238.108474 155.2
[M+NH4]+ 257.149573 166.9
[M+K]+ 278.078908 156.9
[M+H-H2O]+ 222.113010 146.2
[M+HCOO]- 284.113951 169.4
[M+CH3COO]- 298.129601 189.1
[M+Na-2H]- 260.090416 160.0
[M]+ 239.11520142 152.2
[M]- 239.11629858 152.2
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.