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 137.5
[M+Na]+ 202.05083 145.5
[M-H]- 178.05433 138.6
[M+NH4]+ 197.09543 158.0
[M+K]+ 218.02477 143.9
[M+H-H2O]+ 162.05887 132.7
[M+HCOO]- 224.05981 152.3
[M+CH3COO]- 238.07546 172.8
[M+Na-2H]- 200.03628 139.2
[M]+ 179.06106 137.9
[M]- 179.06216 137.9
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.