CID 28513434

4-(pyrrolidine-1-sulfonyl)butanoic acid

Structural Information

Molecular Formula
C8H15NO4S
SMILES
C1CCN(C1)S(=O)(=O)CCCC(=O)O
InChI
InChI=1S/C8H15NO4S/c10-8(11)4-3-7-14(12,13)9-5-1-2-6-9/h1-7H2,(H,10,11)
InChIKey
PGJFODMCZUGNGA-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-ylsulfonylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.07217 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.079446 149.0
[M+Na]+ 244.061388 155.0
[M-H]- 220.064894 149.4
[M+NH4]+ 239.105993 167.2
[M+K]+ 260.035328 153.3
[M+H-H2O]+ 204.069430 143.5
[M+HCOO]- 266.070371 162.5
[M+CH3COO]- 280.086021 179.7
[M+Na-2H]- 242.046836 149.6
[M]+ 221.07162142 149.9
[M]- 221.07271858 149.9
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.