CID 16228453

1-(butane-1-sulfonyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C9H17NO4S
SMILES
CCCCS(=O)(=O)N1CCCC1C(=O)O
InChI
InChI=1S/C9H17NO4S/c1-2-3-7-15(13,14)10-6-4-5-8(10)9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKey
NSVGZDWWWLPNFH-UHFFFAOYSA-N
Compound name
1-butylsulfonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08783 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09511 152.6
[M+Na]+ 258.07705 159.0
[M-H]- 234.08055 153.2
[M+NH4]+ 253.12165 170.6
[M+K]+ 274.05099 157.1
[M+H-H2O]+ 218.08509 147.3
[M+HCOO]- 280.08603 165.8
[M+CH3COO]- 294.10168 183.9
[M+Na-2H]- 256.06250 152.1
[M]+ 235.08728 154.2
[M]- 235.08838 154.2
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

No patent data available for this compound.