CID 3792121

2-amino-4-(morpholine-4-sulfonyl)phenol

Structural Information

Molecular Formula
C10H14N2O4S
SMILES
C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)N
InChI
InChI=1S/C10H14N2O4S/c11-9-7-8(1-2-10(9)13)17(14,15)12-3-5-16-6-4-12/h1-2,7,13H,3-6,11H2
InChIKey
QTSNZFZCMRCYCV-UHFFFAOYSA-N
Compound name
2-amino-4-morpholin-4-ylsulfonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

258.0674 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.074676 154.1
[M+Na]+ 281.056618 160.6
[M-H]- 257.060124 158.1
[M+NH4]+ 276.101223 167.2
[M+K]+ 297.030558 158.1
[M+H-H2O]+ 241.064660 147.0
[M+HCOO]- 303.065601 166.8
[M+CH3COO]- 317.081251 189.1
[M+Na-2H]- 279.042066 158.0
[M]+ 258.06685142 151.8
[M]- 258.06794858 151.8
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