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]+ 240.12303 152.9
[M+Na]+ 262.10497 157.2
[M-H]- 238.10847 155.2
[M+NH4]+ 257.14957 166.9
[M+K]+ 278.07891 156.9
[M+H-H2O]+ 222.11301 146.2
[M+HCOO]- 284.11395 169.4
[M+CH3COO]- 298.12960 189.1
[M+Na-2H]- 260.09042 160.0
[M]+ 239.11520 152.2
[M]- 239.11630 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.