CID 82497407

2-amino-1-[4-(propane-2-sulfonyl)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C11H17NO3S
SMILES
CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CN)O
InChI
InChI=1S/C11H17NO3S/c1-8(2)16(14,15)10-5-3-9(4-6-10)11(13)7-12/h3-6,8,11,13H,7,12H2,1-2H3
InChIKey
AQHZIVWADOFUFB-UHFFFAOYSA-N
Compound name
2-amino-1-(4-propan-2-ylsulfonylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.09291 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.100186 153.3
[M+Na]+ 266.082128 159.4
[M-H]- 242.085634 155.0
[M+NH4]+ 261.126733 169.9
[M+K]+ 282.056068 156.3
[M+H-H2O]+ 226.090170 147.4
[M+HCOO]- 288.091111 168.0
[M+CH3COO]- 302.106761 190.6
[M+Na-2H]- 264.067576 154.0
[M]+ 243.09236142 153.8
[M]- 243.09345858 153.8
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

No patent data available for this compound.