CID 7364888

1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt

Structural Information

Molecular Formula
C9H13NO4S
SMILES
C1=CC=C(C=C1)NC[C@@H](CS(=O)(=O)O)O
InChI
InChI=1S/C9H13NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2,(H,12,13,14)/t9-/m0/s1
InChIKey
CLEVULOKVPBHCU-VIFPVBQESA-N
Compound name
(2S)-3-anilino-2-hydroxypropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.05653 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.06381 148.4
[M+Na]+ 254.04575 156.7
[M+NH4]+ 249.09035 154.3
[M+K]+ 270.01969 151.6
[M-H]- 230.04925 147.6
[M+Na-2H]- 252.03120 152.3
[M]+ 231.05598 149.4
[M]- 231.05708 149.4
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

No patent data available for this compound.