CID 3792021

2-amino-4-(piperidine-1-sulfonyl)phenol

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃S

SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)O)N

InChI

InChI=1S/C11H16N2O3S/c12-10-8-9(4-5-11(10)14)17(15,16)13-6-2-1-3-7-13/h4-5,8,14H,1-3,6-7,12H2

InChIKey

AANCEUVFKUNKKT-UHFFFAOYSA-N

Compound name

2-amino-4-piperidin-1-ylsulfonylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 256.08817 Da
Monoisotopic Mass: 0.9
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]+	257.095446	155.2
[M+Na]+	279.077388	161.3
[M-H]-	255.080894	158.4
[M+NH4]+	274.121993	169.8
[M+K]+	295.051328	157.1
[M+H-H2O]+	239.085430	148.2
[M+HCOO]-	301.086371	168.1
[M+CH3COO]-	315.102021	189.7
[M+Na-2H]-	277.062836	157.7
[M]+	256.08762142	151.4
[M]-	256.08871858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe