CID 44122016

1171069-02-5

Structural Information

Molecular Formula
C11H17N3O4S
SMILES
CC1=NC(=CN1C)S(=O)(=O)N2CCC(CC2)C(=O)O
InChI
InChI=1S/C11H17N3O4S/c1-8-12-10(7-13(8)2)19(17,18)14-5-3-9(4-6-14)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)
InChIKey
GLQFVIHELXKZGG-UHFFFAOYSA-N
Compound name
1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.09396 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10124 164.3
[M+Na]+ 310.08318 172.0
[M-H]- 286.08668 166.1
[M+NH4]+ 305.12778 177.6
[M+K]+ 326.05712 169.0
[M+H-H2O]+ 270.09122 157.4
[M+HCOO]- 332.09216 174.5
[M+CH3COO]- 346.10781 194.2
[M+Na-2H]- 308.06863 163.0
[M]+ 287.09341 164.6
[M]- 287.09451 164.6
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.