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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05980 135.1
[M+Na]+ 205.04174 143.1
[M-H]- 181.04524 135.7
[M+NH4]+ 200.08634 155.4
[M+K]+ 221.01568 141.1
[M+H-H2O]+ 165.04978 128.8
[M+HCOO]- 227.05072 150.7
[M+CH3COO]- 241.06637 177.2
[M+Na-2H]- 203.02719 136.6
[M]+ 182.05197 132.6
[M]- 182.05307 132.6
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.