CID 98336

73120-83-9

Structural Information

Molecular Formula
C12H17NO3
SMILES
CN(CCO)CC1COC2=CC=CC=C2O1
InChI
InChI=1S/C12H17NO3/c1-13(6-7-14)8-10-9-15-11-4-2-3-5-12(11)16-10/h2-5,10,14H,6-9H2,1H3
InChIKey
NUOABGIIYNJJBX-UHFFFAOYSA-N
Compound name
2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 149.9
[M+Na]+ 246.11007 155.2
[M-H]- 222.11357 155.0
[M+NH4]+ 241.15467 166.1
[M+K]+ 262.08401 156.1
[M+H-H2O]+ 206.11811 143.0
[M+HCOO]- 268.11905 169.2
[M+CH3COO]- 282.13470 191.7
[M+Na-2H]- 244.09552 157.8
[M]+ 223.12030 151.3
[M]- 223.12140 151.3
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.