CID 2440007

6-(morpholine-4-sulfonyl)-1h-1,2,3-benzotriazol-1-ol

Structural Information

Molecular Formula

C₁₀H₁₂N₄O₄S

SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=NN3O

InChI

InChI=1S/C10H12N4O4S/c15-14-10-7-8(1-2-9(10)11-12-14)19(16,17)13-3-5-18-6-4-13/h1-2,7,15H,3-6H2

InChIKey

DRTKWKYMHRDNTH-UHFFFAOYSA-N

Compound name

4-(3-hydroxybenzotriazol-5-yl)sulfonylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 284.05792 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	285.065196	159.9
[M+Na]+	307.047138	170.1
[M-H]-	283.050644	162.3
[M+NH4]+	302.091743	171.6
[M+K]+	323.021078	167.3
[M+H-H2O]+	267.055180	152.4
[M+HCOO]-	329.056121	170.6
[M+CH3COO]-	343.071771	170.8
[M+Na-2H]-	305.032586	164.9
[M]+	284.05737142	162.0
[M]-	284.05846858	162.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.