CID 3063279

100370-71-6

Structural Information

Molecular Formula
C12H17NO3
SMILES
CC1CNC(C(O1)C2=CC(=C(C=C2)O)O)C
InChI
InChI=1S/C12H17NO3/c1-7-6-13-8(2)12(16-7)9-3-4-10(14)11(15)5-9/h3-5,7-8,12-15H,6H2,1-2H3
InChIKey
COYDOKLRNWKQTK-UHFFFAOYSA-N
Compound name
4-(3,6-dimethylmorpholin-2-yl)benzene-1,2-diol
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 151.6
[M+Na]+ 246.11007 158.4
[M-H]- 222.11357 153.8
[M+NH4]+ 241.15467 165.6
[M+K]+ 262.08401 155.5
[M+H-H2O]+ 206.11811 144.8
[M+HCOO]- 268.11905 166.1
[M+CH3COO]- 282.13470 183.2
[M+Na-2H]- 244.09552 154.2
[M]+ 223.12030 147.3
[M]- 223.12140 147.3
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.