CID 2733480

73463-39-5

Structural Information

Molecular Formula
C9H19NO4S
SMILES
C1CCC(CC1)NCC(CS(=O)(=O)O)O
InChI
InChI=1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)
InChIKey
INEWUCPYEUEQTN-UHFFFAOYSA-N
Compound name
3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

8201
Patents

237.10349 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11077 151.3
[M+Na]+ 260.09271 154.0
[M-H]- 236.09621 150.7
[M+NH4]+ 255.13731 167.0
[M+K]+ 276.06665 151.5
[M+H-H2O]+ 220.10075 145.7
[M+HCOO]- 282.10169 162.8
[M+CH3COO]- 296.11734 184.0
[M+Na-2H]- 258.07816 153.0
[M]+ 237.10294 147.8
[M]- 237.10404 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe