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]+ 222.07945 149.6
[M+Na]+ 244.06139 155.9
[M+NH4]+ 239.10599 155.0
[M+K]+ 260.03533 153.0
[M-H]- 220.06489 146.7
[M+Na-2H]- 242.04684 150.1
[M]+ 221.07162 149.6
[M]- 221.07272 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.