CID 62370439

(1-methanesulfonylpyrrolidin-3-yl)methanol

Structural Information

Molecular Formula
C6H13NO3S
SMILES
CS(=O)(=O)N1CCC(C1)CO
InChI
InChI=1S/C6H13NO3S/c1-11(9,10)7-3-2-6(4-7)5-8/h6,8H,2-5H2,1H3
InChIKey
KJCHQQDMRBJYPY-UHFFFAOYSA-N
Compound name
(1-methylsulfonylpyrrolidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.06161 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06889 138.9
[M+Na]+ 202.05083 146.8
[M+NH4]+ 197.09543 145.7
[M+K]+ 218.02477 143.2
[M-H]- 178.05433 137.2
[M+Na-2H]- 200.03628 140.5
[M]+ 179.06106 139.6
[M]- 179.06216 139.6
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.