CID 3025527

4-(6-methyl-2-morpholinyl)pyrocatechol

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC1CNCC(O1)C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C11H15NO3/c1-7-5-12-6-11(15-7)8-2-3-9(13)10(14)4-8/h2-4,7,11-14H,5-6H2,1H3
InChIKey
HEISVMTVCWTFNN-UHFFFAOYSA-N
Compound name
4-(6-methylmorpholin-2-yl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

209.1052 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 146.8
[M+Na]+ 232.09442 153.2
[M-H]- 208.09792 148.8
[M+NH4]+ 227.13902 161.1
[M+K]+ 248.06836 150.4
[M+H-H2O]+ 192.10246 140.0
[M+HCOO]- 254.10340 161.8
[M+CH3COO]- 268.11905 178.9
[M+Na-2H]- 230.07987 150.8
[M]+ 209.10465 141.7
[M]- 209.10575 141.7
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

patents stripe