CID 2770972

749219-29-2

Structural Information

Molecular Formula
C14H19NO4S
SMILES
CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O)C
InChI
InChI=1S/C14H19NO4S/c1-10-7-11(2)9-15(8-10)20(18,19)13-5-3-12(4-6-13)14(16)17/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)
InChIKey
RDLUCWBSZMWQDA-UHFFFAOYSA-N
Compound name
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

297.1035 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11078 166.2
[M+Na]+ 320.09272 176.5
[M+NH4]+ 315.13732 172.3
[M+K]+ 336.06666 170.5
[M-H]- 296.09622 167.1
[M+Na-2H]- 318.07817 170.4
[M]+ 297.10295 168.2
[M]- 297.10405 168.2
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