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

2
Patents

256.08817 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09545 155.2
[M+Na]+ 279.07739 161.3
[M-H]- 255.08089 158.4
[M+NH4]+ 274.12199 169.8
[M+K]+ 295.05133 157.1
[M+H-H2O]+ 239.08543 148.2
[M+HCOO]- 301.08637 168.1
[M+CH3COO]- 315.10202 189.7
[M+Na-2H]- 277.06284 157.7
[M]+ 256.08762 151.4
[M]- 256.08872 151.4
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