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

3
Patents

258.0674 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07468 154.1
[M+Na]+ 281.05662 160.6
[M-H]- 257.06012 158.1
[M+NH4]+ 276.10122 167.2
[M+K]+ 297.03056 158.1
[M+H-H2O]+ 241.06466 147.0
[M+HCOO]- 303.06560 166.8
[M+CH3COO]- 317.08125 189.1
[M+Na-2H]- 279.04207 158.0
[M]+ 258.06685 151.8
[M]- 258.06795 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