CID 167716667

(2s)-2-(aminomethyl)pyrrolidine-1-sulfonyl fluoride hydrochloride

Structural Information

Molecular Formula

C₅H₁₁FN₂O₂S

SMILES

C1C[C@H](N(C1)S(=O)(=O)F)CN

InChI

InChI=1S/C5H11FN2O2S/c6-11(9,10)8-3-1-2-5(8)4-7/h5H,1-4,7H2/t5-/m0/s1

InChIKey

MANDCDMPGWTRGV-YFKPBYRVSA-N

Compound name

(2S)-2-(aminomethyl)pyrrolidine-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.05252 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.059796	135.1
[M+Na]+	205.041738	143.1
[M-H]-	181.045244	135.7
[M+NH4]+	200.086343	155.4
[M+K]+	221.015678	141.1
[M+H-H2O]+	165.049780	128.8
[M+HCOO]-	227.050721	150.7
[M+CH3COO]-	241.066371	177.2
[M+Na-2H]-	203.027186	136.6
[M]+	182.05197142	132.6
[M]-	182.05306858	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.